N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE DIHYDROCHLORIDE MONOHYDRATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29ClFN5O2.2ClH.H2O
Molecular Weight	600.94
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE DIHYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.Cl.CN1CCC2(CC(COC3=CC4=C(C=C3NC(=O)C=C)C(NC5=CC(Cl)=C(F)C=C5)=NC=N4)C2)CC1

InChI

InChIKey=WECAWHHJAJJXBQ-UHFFFAOYSA-N

InChI=1S/C27H29ClFN5O2.2ClH.H2O/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27;;;/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32);2*1H;1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H29ClFN5O2
Molecular Weight	510.003
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:29:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:56 GMT 2025`
Record UNII	Q5797S12KX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NON-2-YL)METHOXY)-6-QUINAZOLINYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)

Preferred Name

English

N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE DIHYDROCHLORIDE MONOHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

139593523

Created by admin on Mon Mar 31 22:29:56 GMT 2025 , Edited by admin on Mon Mar 31 22:29:56 GMT 2025

PRIMARY

CAS

2102413-87-4

Created by admin on Mon Mar 31 22:29:56 GMT 2025 , Edited by admin on Mon Mar 31 22:29:56 GMT 2025

NON-SPECIFIC STOICHIOMETRY

CAS

2102413-86-3

Created by admin on Mon Mar 31 22:29:56 GMT 2025 , Edited by admin on Mon Mar 31 22:29:56 GMT 2025

PRIMARY

FDA UNII

Q5797S12KX

Created by admin on Mon Mar 31 22:29:56 GMT 2025 , Edited by admin on Mon Mar 31 22:29:56 GMT 2025

PRIMARY

Related Record Type Details


					M8R6ETA52F

N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE

ACTIVE MOIETY