7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine

C16H16ClN3S — CID 79808207

IUPAC7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine
SMILESCCCNc1nc(-c2cscc2C)nc2cc(Cl)ccc12
InChIInChI=1S/C16H16ClN3S/c1-3-6-18-15-12-5-4-11(17)7-14(12)19-16(20-15)13-9-21-8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyXXGWZQKTHTYMAK-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.14
Rot. Bonds4

About 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine

7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine (PubChem CID 79808207) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine
PubChem CID79808207
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine
SMILESCCCNc1nc(-c2cscc2C)nc2cc(Cl)ccc12
InChIInChI=1S/C16H16ClN3S/c1-3-6-18-15-12-5-4-11(17)7-14(12)19-16(20-15)13-9-21-8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyXXGWZQKTHTYMAK-UHFFFAOYSA-N
XLogP5.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-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-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63487110
7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 64981111
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine
CID 64981429
N-[2-[(7-chloro-2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42809220
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
6-chloro-2-(2,5-dichlorothiophen-3-yl)-N-ethylquinazolin-4-amine
CID 107966565
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine?
The IUPAC name of 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine (CID 79808207) is 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine is CCCNc1nc(-c2cscc2C)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine?
The InChIKey is XXGWZQKTHTYMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-3-6-18-15-12-5-4-11(17)7-14(12)19-16(20-15)13-9-21-8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine?
7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine is sourced from PubChem (CID 79808207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).