4-phenylquinazoline-2-carbonitrile

C15H9N3 — CID 15424970

IUPAC4-phenylquinazoline-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H9N3/c16-10-14-17-13-9-5-4-8-12(13)15(18-14)11-6-2-1-3-7-11/h1-9H
InChIKeyHUKULNZYKALKNU-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.17
Rot. Bonds1

About 4-phenylquinazoline-2-carbonitrile

4-phenylquinazoline-2-carbonitrile (PubChem CID 15424970) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-phenylquinazoline-2-carbonitrile.

Molecular Properties

Compound Name4-phenylquinazoline-2-carbonitrile
PubChem CID15424970
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name4-phenylquinazoline-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H9N3/c16-10-14-17-13-9-5-4-8-12(13)15(18-14)11-6-2-1-3-7-11/h1-9H
InChIKeyHUKULNZYKALKNU-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

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Related Compounds

4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530
2-iodo-4-(4-phenylphenyl)quinazoline
CID 134286122
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
3-phenylcinnoline-4-carbonitrile
CID 10868127
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]benzonitrile
CID 169297005
3-[4-[4-phenyl-6-[2-[2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174309042
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
4-[4-[4-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 162490340
3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168

Frequently Asked Questions

What is the IUPAC name of 4-phenylquinazoline-2-carbonitrile?
The IUPAC name of 4-phenylquinazoline-2-carbonitrile (CID 15424970) is 4-phenylquinazoline-2-carbonitrile.
What is the SMILES notation for 4-phenylquinazoline-2-carbonitrile?
The canonical SMILES for 4-phenylquinazoline-2-carbonitrile is N#Cc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-phenylquinazoline-2-carbonitrile?
The InChIKey is HUKULNZYKALKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c16-10-14-17-13-9-5-4-8-12(13)15(18-14)11-6-2-1-3-7-11/h1-9H.
What are the key properties of 4-phenylquinazoline-2-carbonitrile?
4-phenylquinazoline-2-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 4-phenylquinazoline-2-carbonitrile is sourced from PubChem (CID 15424970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).