(5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine

C142H144F3N19O14 — CID 172952822

About (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine

(5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine (PubChem CID 172952822) has the molecular formula C142H144F3N19O14 and a molecular weight of 2397.83 g/mol. Its IUPAC name is (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine
• PubChem CID: 172952822
• Molecular Formula: C142H144F3N19O14
• Molecular Weight: 2397.83 g/mol
• Exact Mass: 2396.11
• IUPAC Name: (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine
• SMILES: CC(F)(F)CNC(=O)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O.CC1CCC(NC(=O)c2cc3c(nc2NCCOc2ccccc2)CC(c2ccccc2)C/C3=N\O)CC1.Cc1ccc(NC(=O)c2cc3c(nc2NCCOc2ccccc2)CC(c2ccccc2)C/C3=N\O)cc1.O/N=C1\CC(c2ccccc2)Cc2nc(NCCOc3ccccc3)ccc21.O=C(Nc1ccc(F)cc1)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O
• InChI: InChI=1S/C31H36N4O3.C31H30N4O3.C30H27FN4O3.C27H28F2N4O3.C23H23N3O2/c2*1-21-12-14-24(15-13-21)33-31(36)27-20-26-28(18-23(19-29(26)35-37)22-8-4-2-5-9-22)34-30(27)32-16-17-38-25-10-6-3-7-11-25;31-22-11-13-23(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;1-27(28,29)17-31-26(34)22-16-21-23(14-19(15-24(21)33-35)18-8-4-2-5-9-18)32-25(22)30-12-13-36-20-10-6-3-7-11-20;27-26-22-16-18(17-7-3-1-4-8-17)15-21-20(22)11-12-23(25-21)24-13-14-28-19-9-5-2-6-10-19/h2-11,20-21,23-24,37H,12-19H2,1H3,(H,32,34)(H,33,36);2-15,20,23,37H,16-19H2,1H3,(H,32,34)(H,33,36);1-14,19,21,37H,15-18H2,(H,32,34)(H,33,36);2-11,16,19,35H,12-15,17H2,1H3,(H,30,32)(H,31,34);1-12,18,27H,13-16H2,(H,24,25)/b2*35-29+;35-28+;33-24+;26-22+
• InChIKey: OAMFARSYGDRHPS-GUPYLBBUSA-N
• XLogP: 27.05
• TPSA: 450.10 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.83
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

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'}

Frequently Asked Questions

What is the IUPAC name of (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine?

The IUPAC name of (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine (CID 172952822) is (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine.

What is the SMILES notation for (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine?

The canonical SMILES for (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine is CC(F)(F)CNC(=O)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O.CC1CCC(NC(=O)c2cc3c(nc2NCCOc2ccccc2)CC(c2ccccc2)C/C3=N\O)CC1.Cc1ccc(NC(=O)c2cc3c(nc2NCCOc2ccccc2)CC(c2ccccc2)C/C3=N\O)cc1.O/N=C1\CC(c2ccccc2)Cc2nc(NCCOc3ccccc3)ccc21.O=C(Nc1ccc(F)cc1)c1cc2c(nc1NCCOc1ccccc1)CC(c1ccccc1)C/C2=N\O.

What is the InChIKey of (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine?

The InChIKey is OAMFARSYGDRHPS-GUPYLBBUSA-N. The full InChI is InChI=1S/C31H36N4O3.C31H30N4O3.C30H27FN4O3.C27H28F2N4O3.C23H23N3O2/c2*1-21-12-14-24(15-13-21)33-31(36)27-20-26-28(18-23(19-29(26)35-37)22-8-4-2-5-9-22)34-30(27)32-16-17-38-25-10-6-3-7-11-25;31-22-11-13-23(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;1-27(28,29)17-31-26(34)22-16-21-23(14-19(15-24(21)33-35)18-8-4-2-5-9-18)32-25(22)30-12-13-36-20-10-6-3-7-11-20;27-26-22-16-18(17-7-3-1-4-8-17)15-21-20(22)11-12-23(25-21)24-13-14-28-19-9-5-2-6-10-19/h2-11,20-21,23-24,37H,12-19H2,1H3,(H,32,34)(H,33,36);2-15,20,23,37H,16-19H2,1H3,(H,32,34)(H,33,36);1-14,19,21,37H,15-18H2,(H,32,34)(H,33,36);2-11,16,19,35H,12-15,17H2,1H3,(H,30,32)(H,31,34);1-12,18,27H,13-16H2,(H,24,25)/b2*35-29+;35-28+;33-24+;26-22+.

What are the key properties of (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine?

(5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine has a molecular weight of 2397.83 g/mol, XLogP of 27.05, 39 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-N-(2,2-difluoropropyl)-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;(5E)-5-hydroxyimino-N-(4-methylcyclohexyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(5E)-5-hydroxyimino-N-(4-methylphenyl)-2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide;(NE)-N-[2-(2-phenoxyethylamino)-7-phenyl-7,8-dihydro-6H-quinolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 172952822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).