7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine

C15H11ClFN3O — CID 64983945

IUPAC7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(N)c3ccc(Cl)cc3n2)cc1F
InChIInChI=1S/C15H11ClFN3O/c1-21-13-5-2-8(6-11(13)17)15-19-12-7-9(16)3-4-10(12)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyVDHTXWRVBQMSPX-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.68
Rot. Bonds2

About 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine

7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine (PubChem CID 64983945) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
PubChem CID64983945
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(-c2nc(N)c3ccc(Cl)cc3n2)cc1F
InChIInChI=1S/C15H11ClFN3O/c1-21-13-5-2-8(6-11(13)17)15-19-12-7-9(16)3-4-10(12)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyVDHTXWRVBQMSPX-UHFFFAOYSA-N
XLogP3.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983821
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine
CID 142619023
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
CID 65434083
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine (CID 64983945) is 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine is COc1ccc(-c2nc(N)c3ccc(Cl)cc3n2)cc1F.
What is the InChIKey of 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is VDHTXWRVBQMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-21-13-5-2-8(6-11(13)17)15-19-12-7-9(16)3-4-10(12)14(18)20-15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine?
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 303.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).