Ethyl 3-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylate

HCID 300037

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Basic information

CAS: 93002-02-9
Standard SMILES: CCOC(=O)c1c(O)c(=O)[nH]c2ccccc12
InChIKey: NGBBSZVWDWXFQO-UHFFFAOYSA-N
Molecular formula: C12H11NO4
Average molar mass: 233.22 g/mol
Monoisotopic mass: 233.06880783

Names & identifiers

Preferred name: Ethyl 3-hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
IUPAC: ethyl 3-hydroxy-2-oxo-1H-quinoline-4-carboxylate

Names & synonyms

93002-02-9ETHYL 3-HYDROXY-2-OXO-1,2-DIHYDROQUINOLINE-4-CARBOXYLATEDTXSID30306103RefChem:343439DTXCID80257232CHEMBL148130ethyl 3-hydroxy-2-oxo-1H-quinoline-4-carboxylateNSC174096Oprea1_127162SCHEMBL14829865SCHEMBL31298134NGBBSZVWDWXFQO-UHFFFAOYSA-N

Show more names

BDBM50485159NSC-174096SB70231DA-34698EU-0099044AN-212/12293022SR-01000589261SR-01000589261-1

Database identifiers

CAS: 93002-02-9
PubChem CID: 300037
DTXSID: DTXSID30306103
ChEMBL: CHEMBL148130
Nikkaji: J2.979.582G

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 375

Related reactions

1 records

New reaction record

HRID 1844419As reactantuspto-grants-2015_02

Compound notes

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