7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one

C94H114F4N12O8 — CID 157090065

IUPAC7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCN[C@H]1c1ccc(F)cc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)C(C)C2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(CC(F)(F)F)C(=O)CC2.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H28F3N3O2.C24H31N3O2.C23H28FN3O2.C23H27N3O2/c1-32-21-13-17-9-10-22(31)30(15-24(25,26)27)20(17)12-18(21)14-29-19-8-5-11-28-23(19)16-6-3-2-4-7-16;1-16-12-18-14-22(29-3)19(13-21(18)27(2)24(16)28)15-26-20-10-7-11-25-23(20)17-8-5-4-6-9-17;1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15;1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h2-4,6-7,12-13,19,23,28-29H,5,8-11,14-15H2,1H3;4-6,8-9,13-14,16,20,23,25-26H,7,10-12,15H2,1-3H3;5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3/t19?,23-;16?,20?,23-;2*19?,23-/m0000/s1
InChIKeyAEOGKLOTINADDG-HXNRDIMESA-N
MW1616.01 g/mol
LogP14.01
Rot. Bonds21

About 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one

7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one (PubChem CID 157090065) has the molecular formula C94H114F4N12O8 and a molecular weight of 1616.01 g/mol. Its IUPAC name is 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
PubChem CID157090065
Molecular FormulaC94H114F4N12O8
Molecular Weight1616.01 g/mol
Exact Mass1614.88
IUPAC Name7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
SMILESCOc1cc2c(cc1CNC1CCCN[C@H]1c1ccc(F)cc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)C(C)C2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(CC(F)(F)F)C(=O)CC2.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C24H28F3N3O2.C24H31N3O2.C23H28FN3O2.C23H27N3O2/c1-32-21-13-17-9-10-22(31)30(15-24(25,26)27)20(17)12-18(21)14-29-19-8-5-11-28-23(19)16-6-3-2-4-7-16;1-16-12-18-14-22(29-3)19(13-21(18)27(2)24(16)28)15-26-20-10-7-11-25-23(20)17-8-5-4-6-9-17;1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15;1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h2-4,6-7,12-13,19,23,28-29H,5,8-11,14-15H2,1H3;4-6,8-9,13-14,16,20,23,25-26H,7,10-12,15H2,1-3H3;5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3/t19?,23-;16?,20?,23-;2*19?,23-/m0000/s1
InChIKeyAEOGKLOTINADDG-HXNRDIMESA-N
XLogP14.01
TPSA216.09 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001616.01
LogP ≤ 514.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-Methoxy-1-methyl-7-[(6-methyl-2-phenyl-piperidin-3-ylamino)-methyl]-3,4-dihydro-1H-quinolin-2-one
CID 10135212
6-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one
CID 10199731
7-[[(2-Benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)amino]methyl]-6-methoxy-1-methylquinolin-2-one
CID 21705432
7-[(6-Ethyl-2-phenyl-piperidin-3-ylamino)-methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-quinolin-2-one
CID 21931737
7-[[[2-(4-Fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one
CID 10135440
8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one
CID 10159464
6-methoxy-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 10195090
6-methoxy-7-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one;dihydrochloride
CID 20639611
7-[(4-fluoro-N-[(3S)-piperidin-3-yl]anilino)methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one
CID 21069333
Tert-butyl 3-[[6-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-7-yl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 21262751
Tert-butyl 3-[[1-(difluoromethyl)-6-methoxy-2-oxo-3,4-dihydroquinolin-7-yl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 21705396
6-Methoxy-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 21705410

Frequently Asked Questions

What is the IUPAC name of 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one (CID 157090065) is 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one is COc1cc2c(cc1CNC1CCCN[C@H]1c1ccc(F)cc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)C(C)C2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(CC(F)(F)F)C(=O)CC2.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1.
What is the InChIKey of 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is AEOGKLOTINADDG-HXNRDIMESA-N. The full InChI is InChI=1S/C24H28F3N3O2.C24H31N3O2.C23H28FN3O2.C23H27N3O2/c1-32-21-13-17-9-10-22(31)30(15-24(25,26)27)20(17)12-18(21)14-29-19-8-5-11-28-23(19)16-6-3-2-4-7-16;1-16-12-18-14-22(29-3)19(13-21(18)27(2)24(16)28)15-26-20-10-7-11-25-23(20)17-8-5-4-6-9-17;1-27-20-12-17(21(29-2)13-16(20)7-10-22(27)28)14-26-19-4-3-11-25-23(19)15-5-8-18(24)9-6-15;1-26-20-13-18(21(28-2)14-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h2-4,6-7,12-13,19,23,28-29H,5,8-11,14-15H2,1H3;4-6,8-9,13-14,16,20,23,25-26H,7,10-12,15H2,1-3H3;5-6,8-9,12-13,19,23,25-26H,3-4,7,10-11,14H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3/t19?,23-;16?,20?,23-;2*19?,23-/m0000/s1.
What are the key properties of 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one?
7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 1616.01 g/mol, XLogP of 14.01, 21 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(2S)-2-(4-fluorophenyl)piperidin-3-yl]amino]methyl]-6-methoxy-1-methyl-3,4-dihydroquinolin-2-one;6-methoxy-1,3-dimethyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 157090065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).