4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline

C19H12ClN3 — CID 166908308

IUPAC4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
SMILESClc1nc(-c2cccc(-c3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C19H12ClN3/c20-18-15-8-1-2-10-17(15)22-19(23-18)14-7-5-6-13(12-14)16-9-3-4-11-21-16/h1-12H
InChIKeyHXNRILWASAFETI-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline

4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline (PubChem CID 166908308) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
PubChem CID166908308
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
SMILESClc1nc(-c2cccc(-c3ccccn3)c2)nc2ccccc12
InChIInChI=1S/C19H12ClN3/c20-18-15-8-1-2-10-17(15)22-19(23-18)14-7-5-6-13(12-14)16-9-3-4-11-21-16/h1-12H
InChIKeyHXNRILWASAFETI-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline 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-(3-pyridin-2-ylphenyl)quinazoline?
The IUPAC name of 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline (CID 166908308) is 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline?
The canonical SMILES for 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline is Clc1nc(-c2cccc(-c3ccccn3)c2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline?
The InChIKey is HXNRILWASAFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-18-15-8-1-2-10-17(15)22-19(23-18)14-7-5-6-13(12-14)16-9-3-4-11-21-16/h1-12H.
What are the key properties of 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline?
4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline has a molecular weight of 317.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline is sourced from PubChem (CID 166908308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).