N-cyano-4-oxo-1H-quinoline-3-carboxamide

C11H7N3O2 — CID 79195085

IUPACN-cyano-4-oxo-1H-quinoline-3-carboxamide
SMILESN#CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C11H7N3O2/c12-6-14-11(16)8-5-13-9-4-2-1-3-7(9)10(8)15/h1-5H,(H,13,15)(H,14,16)
InChIKeyCPLGIUNLCNQWGO-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.74
Rot. Bonds1

About N-cyano-4-oxo-1H-quinoline-3-carboxamide

N-cyano-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 79195085) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-cyano-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyano-4-oxo-1H-quinoline-3-carboxamide
PubChem CID79195085
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC NameN-cyano-4-oxo-1H-quinoline-3-carboxamide
SMILESN#CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C11H7N3O2/c12-6-14-11(16)8-5-13-9-4-2-1-3-7(9)10(8)15/h1-5H,(H,13,15)(H,14,16)
InChIKeyCPLGIUNLCNQWGO-UHFFFAOYSA-N
XLogP0.74
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-cyano-4-oxo-1H-quinoline-3-carboxamide (CID 79195085) is N-cyano-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyano-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-cyano-4-oxo-1H-quinoline-3-carboxamide is N#CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-cyano-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CPLGIUNLCNQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-6-14-11(16)8-5-13-9-4-2-1-3-7(9)10(8)15/h1-5H,(H,13,15)(H,14,16).
What are the key properties of N-cyano-4-oxo-1H-quinoline-3-carboxamide?
N-cyano-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 213.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 79195085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).