3-hydroxy-2-oxoquinoline-1-carbonitrile

C10H6N2O2 — CID 140907096

IUPAC3-hydroxy-2-oxoquinoline-1-carbonitrile
SMILESN#Cn1c(=O)c(O)cc2ccccc21
InChIInChI=1S/C10H6N2O2/c11-6-12-8-4-2-1-3-7(8)5-9(13)10(12)14/h1-5,13H
InChIKeyFERJABOSLWLEHK-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.04
Rot. Bonds

About 3-hydroxy-2-oxoquinoline-1-carbonitrile

3-hydroxy-2-oxoquinoline-1-carbonitrile (PubChem CID 140907096) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-hydroxy-2-oxoquinoline-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-2-oxoquinoline-1-carbonitrile
PubChem CID140907096
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name3-hydroxy-2-oxoquinoline-1-carbonitrile
SMILESN#Cn1c(=O)c(O)cc2ccccc21
InChIInChI=1S/C10H6N2O2/c11-6-12-8-4-2-1-3-7(8)5-9(13)10(12)14/h1-5,13H
InChIKeyFERJABOSLWLEHK-UHFFFAOYSA-N
XLogP1.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylindole-1-carbonitrile
CID 21484747
3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
CID 140970646
2-hydroxyindole-1-carbaldehyde
CID 57004350
1-bromoindol-2-ol
CID 57225193
2-methylbenzimidazole-1-carbonitrile
CID 10942715
1-methyl-[1,2,4]triazolo[4,3-a]quinolin-4-ol
CID 123586465
naphthalene-2,3-diol;titanium
CID 87616563
sodium naphthalene-2,3-diol
CID 23069442
1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
(1-benzyl-2-oxoquinolin-3-yl) selenocyanate
CID 150337772
benzo[f]indole-1-carbonitrile
CID 101012602
2-(2-hydroxyindol-1-yl)acetamide
CID 150445707

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-oxoquinoline-1-carbonitrile?
The IUPAC name of 3-hydroxy-2-oxoquinoline-1-carbonitrile (CID 140907096) is 3-hydroxy-2-oxoquinoline-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-2-oxoquinoline-1-carbonitrile?
The canonical SMILES for 3-hydroxy-2-oxoquinoline-1-carbonitrile is N#Cn1c(=O)c(O)cc2ccccc21.
What is the InChIKey of 3-hydroxy-2-oxoquinoline-1-carbonitrile?
The InChIKey is FERJABOSLWLEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-6-12-8-4-2-1-3-7(8)5-9(13)10(12)14/h1-5,13H.
What are the key properties of 3-hydroxy-2-oxoquinoline-1-carbonitrile?
3-hydroxy-2-oxoquinoline-1-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-oxoquinoline-1-carbonitrile is sourced from PubChem (CID 140907096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).