4-chloro-2-thiophen-3-ylquinazoline

C12H7ClN2S — CID 9291133

IUPAC4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C12H7ClN2S/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h1-7H
InChIKeyNFTIZFGLNIBYCF-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.01
Rot. Bonds1

About 4-chloro-2-thiophen-3-ylquinazoline

4-chloro-2-thiophen-3-ylquinazoline (PubChem CID 9291133) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-chloro-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-thiophen-3-ylquinazoline
PubChem CID9291133
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C12H7ClN2S/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h1-7H
InChIKeyNFTIZFGLNIBYCF-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-thiophen-3-ylquinazoline 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 4-chloro-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-chloro-2-thiophen-3-ylquinazoline (CID 9291133) is 4-chloro-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-chloro-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-chloro-2-thiophen-3-ylquinazoline is Clc1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-thiophen-3-ylquinazoline?
The InChIKey is NFTIZFGLNIBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h1-7H.
What are the key properties of 4-chloro-2-thiophen-3-ylquinazoline?
4-chloro-2-thiophen-3-ylquinazoline has a molecular weight of 246.72 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 9291133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).