2-oxo-6H-quinoline-6-carbonitrile

C10H6N2O — CID 71302598

IUPAC2-oxo-6H-quinoline-6-carbonitrile
SMILESN#CC1C=CC2=NC(=O)C=CC2=C1
InChIInChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5,7H
InChIKeyNXVSDNZYZQSIBQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.16
Rot. Bonds

About 2-oxo-6H-quinoline-6-carbonitrile

2-oxo-6H-quinoline-6-carbonitrile (PubChem CID 71302598) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-oxo-6H-quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-6H-quinoline-6-carbonitrile
PubChem CID71302598
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name2-oxo-6H-quinoline-6-carbonitrile
SMILESN#CC1C=CC2=NC(=O)C=CC2=C1
InChIInChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5,7H
InChIKeyNXVSDNZYZQSIBQ-UHFFFAOYSA-N
XLogP1.16
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzazepin-2-one
CID 20244764
Quinoline-2,6-dione
CID 45039516
Indenopyridone
CID 129789721
2-Oxo-3-cyanopyrano[4,3-b]pyridine
CID 129869954
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
5-fluoro-4aH-quinolin-2-one
CID 73200527
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618
6-(trifluoromethyl)-4aH-quinolin-2-one
CID 74635635

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6H-quinoline-6-carbonitrile?
The IUPAC name of 2-oxo-6H-quinoline-6-carbonitrile (CID 71302598) is 2-oxo-6H-quinoline-6-carbonitrile.
What is the SMILES notation for 2-oxo-6H-quinoline-6-carbonitrile?
The canonical SMILES for 2-oxo-6H-quinoline-6-carbonitrile is N#CC1C=CC2=NC(=O)C=CC2=C1.
What is the InChIKey of 2-oxo-6H-quinoline-6-carbonitrile?
The InChIKey is NXVSDNZYZQSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5,7H.
What are the key properties of 2-oxo-6H-quinoline-6-carbonitrile?
2-oxo-6H-quinoline-6-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6H-quinoline-6-carbonitrile is sourced from PubChem (CID 71302598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).