3-phenylquinoline-8-carbonitrile

C16H10N2 — CID 25208899

IUPAC3-phenylquinoline-8-carbonitrile
SMILESN#Cc1cccc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C16H10N2/c17-10-14-8-4-7-13-9-15(11-18-16(13)14)12-5-2-1-3-6-12/h1-9,11H
InChIKeyAJCBCIDOEHBOQT-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.77
Rot. Bonds1

About 3-phenylquinoline-8-carbonitrile

3-phenylquinoline-8-carbonitrile (PubChem CID 25208899) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-phenylquinoline-8-carbonitrile.

Molecular Properties

Compound Name3-phenylquinoline-8-carbonitrile
PubChem CID25208899
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name3-phenylquinoline-8-carbonitrile
SMILESN#Cc1cccc2cc(-c3ccccc3)cnc12
InChIInChI=1S/C16H10N2/c17-10-14-8-4-7-13-9-15(11-18-16(13)14)12-5-2-1-3-6-12/h1-9,11H
InChIKeyAJCBCIDOEHBOQT-UHFFFAOYSA-N
XLogP3.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylquinazoline-8-carbonitrile
CID 174872063
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645
cinnoline-3,8-dicarbonitrile
CID 172609726
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
CID 155765294
CID 155765294
3-bromo-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 155765300
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
2,3-dimethylquinoline-8-carbonitrile
CID 174264832

Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoline-8-carbonitrile?
The IUPAC name of 3-phenylquinoline-8-carbonitrile (CID 25208899) is 3-phenylquinoline-8-carbonitrile.
What is the SMILES notation for 3-phenylquinoline-8-carbonitrile?
The canonical SMILES for 3-phenylquinoline-8-carbonitrile is N#Cc1cccc2cc(-c3ccccc3)cnc12.
What is the InChIKey of 3-phenylquinoline-8-carbonitrile?
The InChIKey is AJCBCIDOEHBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-10-14-8-4-7-13-9-15(11-18-16(13)14)12-5-2-1-3-6-12/h1-9,11H.
What are the key properties of 3-phenylquinoline-8-carbonitrile?
3-phenylquinoline-8-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylquinoline-8-carbonitrile is sourced from PubChem (CID 25208899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).