Methyl 4-amino-2-oxo-1,2-dihydroquinoline-3-carboxylate

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Basic information

CAS: 130427-04-2
Standard SMILES: COC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIKey: SFDOHYBYVRFLCE-UHFFFAOYSA-N
Molecular formula: C11H10N2O3
Average molar mass: 218.21 g/mol
Monoisotopic mass: 218.06914218

Names & identifiers

Preferred name: Methyl 4-amino-2-oxo-1,2-dihydroquinoline-3-carboxylate
IUPAC: methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate

Names & synonyms

methyl 4-amino-2-oxo-1,2-dihydroquinoline-3-carboxylate130427-04-2DTXSID50349714RefChem:355542DTXCID50300784methyl 4-amino-2-oxo-1H-quinoline-3-carboxylateOprea1_011964Oprea1_052584MLS000078955SCHEMBL1622440CHEMBL1337069SFDOHYBYVRFLCE-UHFFFAOYSA-N

Show more names

HMS2330J23AKOS000624578AKOS005573661SB70471SMR000039101AG-690/12893052SR-01000363217SR-01000363217-1

Database identifiers

CAS: 130427-04-2
PubChem CID: 658173
DTXSID: DTXSID50349714
ChEMBL: CHEMBL1337069

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 362

Related reactions

5 records

New reaction record

HRID 44398As productuspto-grants-2013_09

HRID 471529As productuspto-grants-2014_01

HRID 711667As productuspto-grants-2015_11

HRID 2077013As productuspto-grants-2011_04

HRID 2324057As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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