4-chloro-2-pyridin-2-ylquinazoline

C13H8ClN3 — CID 930716

IUPAC4-chloro-2-pyridin-2-ylquinazoline
SMILESClc1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C13H8ClN3/c14-12-9-5-1-2-6-10(9)16-13(17-12)11-7-3-4-8-15-11/h1-8H
InChIKeyWEQSCSKJHXQJOB-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 4-chloro-2-pyridin-2-ylquinazoline

4-chloro-2-pyridin-2-ylquinazoline (PubChem CID 930716) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-chloro-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-pyridin-2-ylquinazoline
PubChem CID930716
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name4-chloro-2-pyridin-2-ylquinazoline
SMILESClc1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C13H8ClN3/c14-12-9-5-1-2-6-10(9)16-13(17-12)11-7-3-4-8-15-11/h1-8H
InChIKeyWEQSCSKJHXQJOB-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
CID 166908308
CID 139150015
CID 139150015
4-chloro-2-phenanthren-9-ylquinazoline
CID 139327721
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
N'-(2-pyridin-2-ylquinazolin-4-yl)methanimidamide
CID 13382934
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
CID 165130545
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-chloro-2-pyridin-2-ylquinazoline (CID 930716) is 4-chloro-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-chloro-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-chloro-2-pyridin-2-ylquinazoline is Clc1nc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-pyridin-2-ylquinazoline?
The InChIKey is WEQSCSKJHXQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-12-9-5-1-2-6-10(9)16-13(17-12)11-7-3-4-8-15-11/h1-8H.
What are the key properties of 4-chloro-2-pyridin-2-ylquinazoline?
4-chloro-2-pyridin-2-ylquinazoline has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 930716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).