(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid

C17H16N2O4 — CID 121361398

IUPAC(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCc1c2c(n(-c3ccccc3)c(=O)c1C(=O)O)CCC/C2=N/O
InChIInChI=1S/C17H16N2O4/c1-10-14-12(18-23)8-5-9-13(14)19(11-6-3-2-4-7-11)16(20)15(10)17(21)22/h2-4,6-7,23H,5,8-9H2,1H3,(H,21,22)/b18-12-
InChIKeyUCGKHZQIHHCPGN-PDGQHHTCSA-N
MW312.32 g/mol
LogP2.36
Rot. Bonds2

About (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid

(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid (PubChem CID 121361398) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
PubChem CID121361398
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
SMILESCc1c2c(n(-c3ccccc3)c(=O)c1C(=O)O)CCC/C2=N/O
InChIInChI=1S/C17H16N2O4/c1-10-14-12(18-23)8-5-9-13(14)19(11-6-3-2-4-7-11)16(20)15(10)17(21)22/h2-4,6-7,23H,5,8-9H2,1H3,(H,21,22)/b18-12-
InChIKeyUCGKHZQIHHCPGN-PDGQHHTCSA-N
XLogP2.36
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(N-hydroxypropanimidoyl)-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 135401380
6-Fluoro-2-(4-fluorophenyl)-3-oxocinnoline-4-carboxylic acid
CID 177850814
5-Ethyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 156197220
2-(4-Fluorophenyl)-5,6-dimethyl-3-oxopyridazine-4-carboxylic acid
CID 156197255
5-Ethenyl-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 156197640
6-Methyl-3-oxo-2-phenyl-2,3-dihydropyridazine-4-carboxylic acid
CID 12778302
4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one
CID 136155884
6-tert-butyl-4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-phenylpyridin-2-one
CID 139224692
3-Oxo-2-phenylcinnoline-4-carboxylic acid
CID 162401695
6-Methyl-2-(4-methylphenyl)-3-oxocinnoline-4-carboxylic acid
CID 177850809
3-Oxo-6-propan-2-yl-2-(4-propan-2-ylphenyl)cinnoline-4-carboxylic acid
CID 177850811
2-(2-Fluorophenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
CID 82036489

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The IUPAC name of (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid (CID 121361398) is (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid.
What is the SMILES notation for (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The canonical SMILES for (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid is Cc1c2c(n(-c3ccccc3)c(=O)c1C(=O)O)CCC/C2=N/O.
What is the InChIKey of (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
The InChIKey is UCGKHZQIHHCPGN-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-14-12(18-23)8-5-9-13(14)19(11-6-3-2-4-7-11)16(20)15(10)17(21)22/h2-4,6-7,23H,5,8-9H2,1H3,(H,21,22)/b18-12-.
What are the key properties of (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid?
(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid is sourced from PubChem (CID 121361398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).