6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine

C15H10BrClFN3O — CID 146246329

IUPAC6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1Br
InChIInChI=1S/C15H10BrClFN3O/c1-22-14-6-13-9(5-10(14)16)15(20-7-19-13)21-12-3-2-8(17)4-11(12)18/h2-7H,1H3,(H,19,20,21)
InChIKeyCVPCPYGBKXAIOO-UHFFFAOYSA-N
MW382.62 g/mol
LogP4.94
Rot. Bonds3

About 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine

6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine (PubChem CID 146246329) has the molecular formula C15H10BrClFN3O and a molecular weight of 382.62 g/mol. Its IUPAC name is 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
PubChem CID146246329
Molecular FormulaC15H10BrClFN3O
Molecular Weight382.62 g/mol
Exact Mass380.97
IUPAC Name6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1Br
InChIInChI=1S/C15H10BrClFN3O/c1-22-14-6-13-9(5-10(14)16)15(20-7-19-13)21-12-3-2-8(17)4-11(12)18/h2-7H,1H3,(H,19,20,21)
InChIKeyCVPCPYGBKXAIOO-UHFFFAOYSA-N
XLogP4.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 58617011
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridin-4-yl)amino]ethoxy]quinazolin-4-amine
CID 5329026
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine (CID 146246329) is 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1Br.
What is the InChIKey of 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine?
The InChIKey is CVPCPYGBKXAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3O/c1-22-14-6-13-9(5-10(14)16)15(20-7-19-13)21-12-3-2-8(17)4-11(12)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine?
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine has a molecular weight of 382.62 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 146246329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).