8-chloroquinazoline-4-carbonitrile

C9H4ClN3 — CID 119083825

IUPAC8-chloroquinazoline-4-carbonitrile
SMILESN#Cc1ncnc2c(Cl)cccc12
InChIInChI=1S/C9H4ClN3/c10-7-3-1-2-6-8(4-11)12-5-13-9(6)7/h1-3,5H
InChIKeyFHXRNXCZQAIJKS-UHFFFAOYSA-N
MW189.60 g/mol
LogP2.15
Rot. Bonds

About 8-chloroquinazoline-4-carbonitrile

8-chloroquinazoline-4-carbonitrile (PubChem CID 119083825) has the molecular formula C9H4ClN3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 8-chloroquinazoline-4-carbonitrile.

Molecular Properties

Compound Name8-chloroquinazoline-4-carbonitrile
PubChem CID119083825
Molecular FormulaC9H4ClN3
Molecular Weight189.60 g/mol
Exact Mass189.01
IUPAC Name8-chloroquinazoline-4-carbonitrile
SMILESN#Cc1ncnc2c(Cl)cccc12
InChIInChI=1S/C9H4ClN3/c10-7-3-1-2-6-8(4-11)12-5-13-9(6)7/h1-3,5H
InChIKeyFHXRNXCZQAIJKS-UHFFFAOYSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloroquinazoline-8-carbonitrile
CID 71721373
quinazoline-4-carbonitrile
CID 593211
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
8-chloroquinazoline-4-carboxylic acid
CID 105462454
8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
CID 82242893
8-chloroquinoline-5-carbonitrile
CID 119084135
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
2-(2-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672776
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
5-(2-chlorophenyl)-2H-triazole-4-carbonitrile
CID 82377911

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinazoline-4-carbonitrile?
The IUPAC name of 8-chloroquinazoline-4-carbonitrile (CID 119083825) is 8-chloroquinazoline-4-carbonitrile.
What is the SMILES notation for 8-chloroquinazoline-4-carbonitrile?
The canonical SMILES for 8-chloroquinazoline-4-carbonitrile is N#Cc1ncnc2c(Cl)cccc12.
What is the InChIKey of 8-chloroquinazoline-4-carbonitrile?
The InChIKey is FHXRNXCZQAIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3/c10-7-3-1-2-6-8(4-11)12-5-13-9(6)7/h1-3,5H.
What are the key properties of 8-chloroquinazoline-4-carbonitrile?
8-chloroquinazoline-4-carbonitrile has a molecular weight of 189.60 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinazoline-4-carbonitrile is sourced from PubChem (CID 119083825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).