2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine

C15H14FN3S — CID 79975310

IUPAC2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1
InChIInChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyDHTIWEKIKZVERU-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine

2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine (PubChem CID 79975310) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
PubChem CID79975310
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine
SMILESCCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1
InChIInChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyDHTIWEKIKZVERU-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-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 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine (CID 79975310) is 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine is CCc1ccsc1-c1nc(NC)c2ccc(F)cc2n1.
What is the InChIKey of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
The InChIKey is DHTIWEKIKZVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-3-9-6-7-20-13(9)15-18-12-8-10(16)4-5-11(12)14(17-2)19-15/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine?
2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylthiophen-2-yl)-7-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 79975310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).