(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

C30H27FN4O3 — CID 145391235

IUPAC(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O
InChIInChI=1S/C30H27FN4O3/c31-22-11-13-23(14-12-22)33-30(36)26-19-25-27(17-21(18-28(25)35-37)20-7-3-1-4-8-20)34-29(26)32-15-16-38-24-9-5-2-6-10-24/h1-14,19,21,37H,15-18H2,(H,32,34)(H,33,36)/b35-28+
InChIKeyDOSDZXFTUKJLNT-AWQADKOQSA-N
MW510.57 g/mol
LogP5.87
Rot. Bonds8

About (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 145391235) has the molecular formula C30H27FN4O3 and a molecular weight of 510.57 g/mol. Its IUPAC name is (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID145391235
Molecular FormulaC30H27FN4O3
Molecular Weight510.57 g/mol
Exact Mass510.21
IUPAC Name(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O
InChIInChI=1S/C30H27FN4O3/c31-22-11-13-23(14-12-22)33-30(36)26-19-25-27(17-21(18-28(25)35-37)20-7-3-1-4-8-20)34-29(26)32-15-16-38-24-9-5-2-6-10-24/h1-14,19,21,37H,15-18H2,(H,32,34)(H,33,36)/b35-28+
InChIKeyDOSDZXFTUKJLNT-AWQADKOQSA-N
XLogP5.87
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.57
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

2-[(2-Methoxyphenyl)amino]-N-[3-(morpholin-4-YL)propyl]quinoline-4-carboxamide
CID 5308129
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 15990959
US10245267, Example 197
CID 130425555
2-[(2-methoxyphenyl)amino]-N-{3-[methyl(phenyl)amino]propyl}quinoline-4-carboxamide
CID 5189611
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990941
N-{3-[butyl(phenyl)amino]propyl}-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide
CID 15990961
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((2-methoxyphenyl)amino)-
CID 3088202
2-[(4-Ethoxyphenyl)amino]-N-[(4-fluorophenyl)methyl]quinoline-4-carboxamide
CID 3429541
2-[(2-methoxyphenyl)amino]-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 15990937
N-(4-ethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 16029300
2-(4-methoxyanilino)-N-(3-morpholinopropyl)-4-quinolinecarboxamide
CID 24793582
2-[4-(2-fluorophenyl)-1-piperazinyl]-6-(2-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]nicotinamide
CID 29149657

Frequently Asked Questions

What is the IUPAC name of (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 145391235) is (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O.
What is the InChIKey of (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is DOSDZXFTUKJLNT-AWQADKOQSA-N. The full InChI is InChI=1S/C30H27FN4O3/c31-22-11-13-23(14-12-22)33-30(36)26-19-25-27(17-21(18-28(25)35-37)20-7-3-1-4-8-20)34-29(26)32-15-16-38-24-9-5-2-6-10-24/h1-14,19,21,37H,15-18H2,(H,32,34)(H,33,36)/b35-28+.
What are the key properties of (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
(5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 510.57 g/mol, XLogP of 5.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-(4-fluorophenyl)-5-hydroxyimino-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 145391235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).