4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13ClFN3O3
Molecular Weight	361.755
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

SMILES

COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OC(C)=O

InChI

InChIKey=ANGPUOTYQQFHKN-UHFFFAOYSA-N

InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula	C17H13ClFN3O3
Molecular Weight	361.755
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	R3EQ3HZ35P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Acetoxy-4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazoline

Preferred Name

English

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

Systematic Name

English

6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, acetate (ester)

Systematic Name

English

6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate

Systematic Name

English

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Code System

Code

Type

Description

PUBCHEM

21098396

PRIMARY

CAS

788136-89-0

PRIMARY

FDA UNII

R3EQ3HZ35P

PRIMARY

EPA CompTox

DTXSID40610743

PRIMARY

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Related Record

Type

Details


					EKN3ZS4DWS

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride

SALT/SOLVATE -> PARENT

Amount:

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