6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine

C16H16BrN3S — CID 64981429

IUPAC6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine
SMILESCCCNc1nc(-c2sccc2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H16BrN3S/c1-3-7-18-15-12-9-11(17)4-5-13(12)19-16(20-15)14-10(2)6-8-21-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyAPYZFBTVIHNBLE-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.25
Rot. Bonds4

About 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine

6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine (PubChem CID 64981429) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine
PubChem CID64981429
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine
SMILESCCCNc1nc(-c2sccc2C)nc2ccc(Br)cc12
InChIInChI=1S/C16H16BrN3S/c1-3-7-18-15-12-9-11(17)4-5-13(12)19-16(20-15)14-10(2)6-8-21-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyAPYZFBTVIHNBLE-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-(3-methylthiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine (CID 64981429) is 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine is CCCNc1nc(-c2sccc2C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine?
The InChIKey is APYZFBTVIHNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-3-7-18-15-12-9-11(17)4-5-13(12)19-16(20-15)14-10(2)6-8-21-14/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine?
6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine has a molecular weight of 362.30 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methylthiophen-2-yl)-N-propylquinazolin-4-amine is sourced from PubChem (CID 64981429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).