N,4-dioxo-1H-quinoline-3-carboxamide

C10H6N2O3 — CID 118327935

IUPACN,4-dioxo-1H-quinoline-3-carboxamide
SMILESO=NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C10H6N2O3/c13-9-6-3-1-2-4-8(6)11-5-7(9)10(14)12-15/h1-5H,(H,11,13)
InChIKeyKSSISXCYDDLEHR-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.43
Rot. Bonds1

About N,4-dioxo-1H-quinoline-3-carboxamide

N,4-dioxo-1H-quinoline-3-carboxamide (PubChem CID 118327935) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is N,4-dioxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN,4-dioxo-1H-quinoline-3-carboxamide
PubChem CID118327935
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC NameN,4-dioxo-1H-quinoline-3-carboxamide
SMILESO=NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C10H6N2O3/c13-9-6-3-1-2-4-8(6)11-5-7(9)10(14)12-15/h1-5H,(H,11,13)
InChIKeyKSSISXCYDDLEHR-UHFFFAOYSA-N
XLogP1.43
TPSA79.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-oxo-1H-indole-3-carboxamide
CID 88522766
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
3-(4-nitrobenzoyl)-1H-quinolin-4-one
CID 4606480
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
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
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 61021751
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of N,4-dioxo-1H-quinoline-3-carboxamide?
The IUPAC name of N,4-dioxo-1H-quinoline-3-carboxamide (CID 118327935) is N,4-dioxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N,4-dioxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N,4-dioxo-1H-quinoline-3-carboxamide is O=NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N,4-dioxo-1H-quinoline-3-carboxamide?
The InChIKey is KSSISXCYDDLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-9-6-3-1-2-4-8(6)11-5-7(9)10(14)12-15/h1-5H,(H,11,13).
What are the key properties of N,4-dioxo-1H-quinoline-3-carboxamide?
N,4-dioxo-1H-quinoline-3-carboxamide has a molecular weight of 202.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dioxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 118327935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).