6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one

C117H147N15O10 — CID 159069508

IUPAC6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
SMILESCCOc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)C(C)(C)C(=O)N2C.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)CCC(=O)N2C.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1
InChIInChI=1S/2C24H31N3O2.C23H29N3O2.C23H27N3O2.C23H29N3O2/c1-24(2)18-13-17(21(29-4)14-20(18)27(3)23(24)28)15-26-19-11-8-12-25-22(19)16-9-6-5-7-10-16;1-3-29-22-15-18-11-12-23(28)27(2)21(18)14-19(22)16-26-20-10-7-13-25-24(20)17-8-5-4-6-9-17;2*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;1-26-20-14-21(28-2)18(13-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h5-7,9-10,13-14,19,22,25-26H,8,11-12,15H2,1-4H3;4-6,8-9,14-15,20,24-26H,3,7,10-13,16H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3/t19?,22-;20?,24-;2*19?,23-;19-,23-/m00000/s1
InChIKeyJZLUGYLBNWKSPW-RHDJCWCYSA-N
MW1923.56 g/mol
LogP16.61
Rot. Bonds26

About 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one

6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one (PubChem CID 159069508) has the molecular formula C117H147N15O10 and a molecular weight of 1923.56 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one.

Molecular Properties

Compound Name6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
PubChem CID159069508
Molecular FormulaC117H147N15O10
Molecular Weight1923.56 g/mol
Exact Mass1922.15
IUPAC Name6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
SMILESCCOc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)C(C)(C)C(=O)N2C.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)CCC(=O)N2C.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1
InChIInChI=1S/2C24H31N3O2.C23H29N3O2.C23H27N3O2.C23H29N3O2/c1-24(2)18-13-17(21(29-4)14-20(18)27(3)23(24)28)15-26-19-11-8-12-25-22(19)16-9-6-5-7-10-16;1-3-29-22-15-18-11-12-23(28)27(2)21(18)14-19(22)16-26-20-10-7-13-25-24(20)17-8-5-4-6-9-17;2*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;1-26-20-14-21(28-2)18(13-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h5-7,9-10,13-14,19,22,25-26H,8,11-12,15H2,1-4H3;4-6,8-9,14-15,20,24-26H,3,7,10-13,16H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3/t19?,22-;20?,24-;2*19?,23-;19-,23-/m00000/s1
InChIKeyJZLUGYLBNWKSPW-RHDJCWCYSA-N
XLogP16.61
TPSA269.69 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.56
LogP ≤ 516.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one with MolForge

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Related Compounds

(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 171854419
(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]propoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 171854421
(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 171854425
3-[1'-[[1-[4-[(3R)-2-(2,2-difluoroethyl)-5-ethenyl-3-methyl-6-(methylamino)-3,4-dihydro-1H-isoquinolin-1-yl]-3,5-difluorophenyl]piperidin-4-yl]methyl]-7-oxospiro[3,9-dihydro-2H-pyrano[2,3-e]isoindole-4,4'-piperidine]-8-yl]piperidine-2,6-dione
CID 169202911
[(5R,6S)-5-[4-[2-[[(7S)-14-(2-methylidene-6-oxopiperidin-3-yl)-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-5-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl] hypofluorite
CID 170729699
5-[[7-[2-Fluoro-5-methoxy-4-(2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one
CID 170729907
N-[(5R)-5-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-4,4-dimethylheptan-3-yl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperazin-1-yl]benzamide
CID 171564794
3-[2-[3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]-3-oxopropyl]amino]-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]propanamide;methanol
CID 168340035
1-[3-Methyl-4-[4-(spiro[2,6,7,8-tetrahydrofuro[2,3-g]quinoline-3,4'-piperidine]-5-carbonyl)phenyl]phenyl]pyrrolidin-2-one
CID 18694297
2'-(2-Aminoethyl)spiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,3'-isoindole]-1'-one
CID 117888153
3-[2-[2-(2-ethylbut-3-enoxy)ethoxy]ethoxy]-N-[2-(3'-oxospiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,1'-isoindole]-2'-yl)ethyl]propanamide
CID 123414732
5-[6-(4-oxo-7-piperidin-4-yloxy-2,3-dihydro-1H-naphthalen-2-yl)-7-piperidin-4-yloxy-1,2,3,4-tetrahydroquinolin-2-yl]-7-piperidin-4-yloxy-3,4-dihydro-1H-quinolin-2-one
CID 135170923

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one?
The IUPAC name of 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one (CID 159069508) is 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one.
What is the SMILES notation for 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one?
The canonical SMILES for 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one is CCOc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)C(C)(C)C(=O)N2C.COc1cc2c(cc1CNC1CCCN[C@H]1c1ccccc1)N(C)C(=O)CC2.COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)CCC(=O)N2C.COc1cc2ccc(=O)n(C)c2cc1CNC1CCCN[C@H]1c1ccccc1.
What is the InChIKey of 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one?
The InChIKey is JZLUGYLBNWKSPW-RHDJCWCYSA-N. The full InChI is InChI=1S/2C24H31N3O2.C23H29N3O2.C23H27N3O2.C23H29N3O2/c1-24(2)18-13-17(21(29-4)14-20(18)27(3)23(24)28)15-26-19-11-8-12-25-22(19)16-9-6-5-7-10-16;1-3-29-22-15-18-11-12-23(28)27(2)21(18)14-19(22)16-26-20-10-7-13-25-24(20)17-8-5-4-6-9-17;2*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;1-26-20-14-21(28-2)18(13-17(20)10-11-22(26)27)15-25-19-9-6-12-24-23(19)16-7-4-3-5-8-16/h5-7,9-10,13-14,19,22,25-26H,8,11-12,15H2,1-4H3;4-6,8-9,14-15,20,24-26H,3,7,10-13,16H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3;3-5,7-8,10-11,13-14,19,23-25H,6,9,12,15H2,1-2H3;3-5,7-8,13-14,19,23-25H,6,9-12,15H2,1-2H3/t19?,22-;20?,24-;2*19?,23-;19-,23-/m00000/s1.
What are the key properties of 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one?
6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one has a molecular weight of 1923.56 g/mol, XLogP of 16.61, 26 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-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]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-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-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one is sourced from PubChem (CID 159069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).