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

C11H12N2O3 — CID 143703164

IUPACmethanamine;2-oxo-1H-quinoline-4-carboxylic acid
SMILESCN.O=C(O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H7NO3.CH5N/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9;1-2/h1-5H,(H,11,12)(H,13,14);2H2,1H3
InChIKeyGTCIISMFHLUXIR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.80
Rot. Bonds1

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

methanamine;2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 143703164) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methanamine;2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Namemethanamine;2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID143703164
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethanamine;2-oxo-1H-quinoline-4-carboxylic acid
SMILESCN.O=C(O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H7NO3.CH5N/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9;1-2/h1-5H,(H,11,12)(H,13,14);2H2,1H3
InChIKeyGTCIISMFHLUXIR-UHFFFAOYSA-N
XLogP0.80
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
phthalic acid;1H-quinazoline-2,4-dione
CID 160781113
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 51485480
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774

Frequently Asked Questions

What is the IUPAC name of methanamine;2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of methanamine;2-oxo-1H-quinoline-4-carboxylic acid (CID 143703164) is methanamine;2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for methanamine;2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for methanamine;2-oxo-1H-quinoline-4-carboxylic acid is CN.O=C(O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of methanamine;2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is GTCIISMFHLUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.CH5N/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9;1-2/h1-5H,(H,11,12)(H,13,14);2H2,1H3.
What are the key properties of methanamine;2-oxo-1H-quinoline-4-carboxylic acid?
methanamine;2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 143703164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).