7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane

C134H161F4N13O7 — CID 158041874

About 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane

7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane (PubChem CID 158041874) has the molecular formula C134H161F4N13O7 and a molecular weight of 2141.84 g/mol. Its IUPAC name is 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane.

Molecular Properties

• Compound Name: 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane
• PubChem CID: 158041874
• Molecular Formula: C134H161F4N13O7
• Molecular Weight: 2141.84 g/mol
• Exact Mass: 2140.26
• IUPAC Name: 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane
• SMILES: C.C.CCC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.CCCCCCNC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21.N.N.[H]/N=C(\C)CC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5C(F)(F)F)cc(C)nc4c3)cc2)CC1.[H]/N=C(\N)CCC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1
• InChI: InChI=1S/C35H33F4N3O2.C34H36N4O2.C33H36N2O.C30H42N2O2.2CH4.2H3N/c1-20(40)15-28(43)17-22-3-5-23(6-4-22)24-7-9-25(10-8-24)26-11-13-29-30(16-21(2)41-33(29)18-26)34(44)42-32-14-12-27(36)19-31(32)35(37,38)39;1-22-19-31(34(40)38-28-5-3-2-4-6-28)30-17-15-27(21-32(30)37-22)26-13-11-25(12-14-26)24-9-7-23(8-10-24)20-29(39)16-18-33(35)36;1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-23(2)35-32(30)22-29)33(36)34-20-19-25-7-5-4-6-8-25;1-4-6-7-8-19-31-30(33)32-21-22(3)34-29-20-27(17-18-28(29)32)26-15-13-25(14-16-26)24-11-9-23(5-2)10-12-24;;;;/h7-14,16,18-19,22-23,40H,3-6,15,17H2,1-2H3,(H,42,44);2-6,11-15,17,19,21,23-24H,7-10,16,18,20H2,1H3,(H3,35,36)(H,38,40);4-8,13-18,21-22,24,26H,3,9-12,19-20H2,1-2H3,(H,34,36);13-18,20,22-24H,4-12,19,21H2,1-3H3,(H,31,33);2*1H4;2*1H3/b40-20+
• InChIKey: ZBAXKTJXVDAEFU-PAIQNHSBSA-N
• XLogP: 34.07
• TPSA: 345.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.84
LogP ≤ 5	34.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane?

The IUPAC name of 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane (CID 158041874) is 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane.

What is the SMILES notation for 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane?

The canonical SMILES for 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane is C.C.CCC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.CCCCCCNC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21.N.N.[H]/N=C(\C)CC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5C(F)(F)F)cc(C)nc4c3)cc2)CC1.[H]/N=C(\N)CCC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.

What is the InChIKey of 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane?

The InChIKey is ZBAXKTJXVDAEFU-PAIQNHSBSA-N. The full InChI is InChI=1S/C35H33F4N3O2.C34H36N4O2.C33H36N2O.C30H42N2O2.2CH4.2H3N/c1-20(40)15-28(43)17-22-3-5-23(6-4-22)24-7-9-25(10-8-24)26-11-13-29-30(16-21(2)41-33(29)18-26)34(44)42-32-14-12-27(36)19-31(32)35(37,38)39;1-22-19-31(34(40)38-28-5-3-2-4-6-28)30-17-15-27(21-32(30)37-22)26-13-11-25(12-14-26)24-9-7-23(8-10-24)20-29(39)16-18-33(35)36;1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-23(2)35-32(30)22-29)33(36)34-20-19-25-7-5-4-6-8-25;1-4-6-7-8-19-31-30(33)32-21-22(3)34-29-20-27(17-18-28(29)32)26-15-13-25(14-16-26)24-11-9-23(5-2)10-12-24;;;;/h7-14,16,18-19,22-23,40H,3-6,15,17H2,1-2H3,(H,42,44);2-6,11-15,17,19,21,23-24H,7-10,16,18,20H2,1H3,(H3,35,36)(H,38,40);4-8,13-18,21-22,24,26H,3,9-12,19-20H2,1-2H3,(H,34,36);13-18,20,22-24H,4-12,19,21H2,1-3H3,(H,31,33);2*1H4;2*1H3/b40-20+;;;;;;;.

What are the key properties of 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane?

7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane has a molecular weight of 2141.84 g/mol, XLogP of 34.07, 32 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane is sourced from PubChem (CID 158041874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).