methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate

C11H10N2O3 — CID 125474812

IUPACmethyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2ccc(N)cc12
InChIInChI=1S/C11H10N2O3/c1-16-11(15)8-5-10(14)13-9-3-2-6(12)4-7(8)9/h2-5H,12H2,1H3,(H,13,14)
InChIKeyLZMVBWZRCSNALT-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.90
Rot. Bonds1

About methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate

methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 125474812) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
PubChem CID125474812
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2ccc(N)cc12
InChIInChI=1S/C11H10N2O3/c1-16-11(15)8-5-10(14)13-9-3-2-6(12)4-7(8)9/h2-5H,12H2,1H3,(H,13,14)
InChIKeyLZMVBWZRCSNALT-UHFFFAOYSA-N
XLogP0.90
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
6-amino-4-(3-methoxypropyl)-1H-quinolin-2-one
CID 118872234
methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
CID 59398050
methyl 5-amino-2-chlorobenzoate
CID 5200412
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
methyl 4-amino-2-sulfanylbenzoate
CID 91874278
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 26870444
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
CID 82413441
[2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 1217057

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate (CID 125474812) is methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate is COC(=O)c1cc(=O)[nH]c2ccc(N)cc12.
What is the InChIKey of methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is LZMVBWZRCSNALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-11(15)8-5-10(14)13-9-3-2-6(12)4-7(8)9/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate?
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 125474812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).