2-phenylquinazoline-8-carbonitrile

C15H9N3 — CID 174872063

IUPAC2-phenylquinazoline-8-carbonitrile
SMILESN#Cc1cccc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C15H9N3/c16-9-12-7-4-8-13-10-17-15(18-14(12)13)11-5-2-1-3-6-11/h1-8,10H
InChIKeySXLUZXNHPCVDIF-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.17
Rot. Bonds1

About 2-phenylquinazoline-8-carbonitrile

2-phenylquinazoline-8-carbonitrile (PubChem CID 174872063) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-phenylquinazoline-8-carbonitrile.

Molecular Properties

Compound Name2-phenylquinazoline-8-carbonitrile
PubChem CID174872063
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name2-phenylquinazoline-8-carbonitrile
SMILESN#Cc1cccc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C15H9N3/c16-9-12-7-4-8-13-10-17-15(18-14(12)13)11-5-2-1-3-6-11/h1-8,10H
InChIKeySXLUZXNHPCVDIF-UHFFFAOYSA-N
XLogP3.17
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenylquinazoline-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-2-phenylquinazoline
CID 72698916
3-phenylquinoline-8-carbonitrile
CID 25208899
2-phenylquinazoline
CID 158733567
4-anilino-2-phenylpyrimidine-5-carbonitrile
CID 12598855
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
CID 24901796
3-chloroquinoxaline-5-carbonitrile
CID 119083814
4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
CID 122575562
2-(5-methylpyrimidin-2-yl)-3-phenylbenzonitrile
CID 58954363

Frequently Asked Questions

What is the IUPAC name of 2-phenylquinazoline-8-carbonitrile?
The IUPAC name of 2-phenylquinazoline-8-carbonitrile (CID 174872063) is 2-phenylquinazoline-8-carbonitrile.
What is the SMILES notation for 2-phenylquinazoline-8-carbonitrile?
The canonical SMILES for 2-phenylquinazoline-8-carbonitrile is N#Cc1cccc2cnc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenylquinazoline-8-carbonitrile?
The InChIKey is SXLUZXNHPCVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c16-9-12-7-4-8-13-10-17-15(18-14(12)13)11-5-2-1-3-6-11/h1-8,10H.
What are the key properties of 2-phenylquinazoline-8-carbonitrile?
2-phenylquinazoline-8-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylquinazoline-8-carbonitrile is sourced from PubChem (CID 174872063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).