acetamide;4-oxo-1H-quinoline-2-carboxylic acid

C12H12N2O4 — CID 160920347

IUPACacetamide;4-oxo-1H-quinoline-2-carboxylic acid
SMILESCC(N)=O.O=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3.C2H5NO/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;1-2(3)4/h1-5H,(H,11,12)(H,13,14);1H3,(H2,3,4)
InChIKeySRYDYHLPKJFXAA-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.72
Rot. Bonds1

About acetamide;4-oxo-1H-quinoline-2-carboxylic acid

acetamide;4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 160920347) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is acetamide;4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Nameacetamide;4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID160920347
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameacetamide;4-oxo-1H-quinoline-2-carboxylic acid
SMILESCC(N)=O.O=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3.C2H5NO/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;1-2(3)4/h1-5H,(H,11,12)(H,13,14);1H3,(H2,3,4)
InChIKeySRYDYHLPKJFXAA-UHFFFAOYSA-N
XLogP0.72
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 62625856
3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 174619588
4-oxo-1H-quinoline-2-carbonyl isocyanate
CID 19004891
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
ethane;1H-indole-2-carboxylic acid
CID 91052830
3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylic acid
CID 57098524

Frequently Asked Questions

What is the IUPAC name of acetamide;4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of acetamide;4-oxo-1H-quinoline-2-carboxylic acid (CID 160920347) is acetamide;4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for acetamide;4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for acetamide;4-oxo-1H-quinoline-2-carboxylic acid is CC(N)=O.O=C(O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of acetamide;4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is SRYDYHLPKJFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C2H5NO/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;1-2(3)4/h1-5H,(H,11,12)(H,13,14);1H3,(H2,3,4).
What are the key properties of acetamide;4-oxo-1H-quinoline-2-carboxylic acid?
acetamide;4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 160920347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).