3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine

C121H150ClF6N15O9 — CID 167616443

About 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine

3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine (PubChem CID 167616443) has the molecular formula C121H150ClF6N15O9 and a molecular weight of 2108.07 g/mol. Its IUPAC name is 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine.

Molecular Properties

• Compound Name: 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine
• PubChem CID: 167616443
• Molecular Formula: C121H150ClF6N15O9
• Molecular Weight: 2108.07 g/mol
• Exact Mass: 2106.13
• IUPAC Name: 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine
• SMILES: CCC1=Cc2ncc(CCl)cc2CC1=O.CCC1=Cc2ncc(CN3CCC(N(C)C(=O)COc4cc(F)c([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)c(F)c4)CC3)cc2CC1=O.CCC1CCNCC1.CCc1cc2ncc(CN3CCC(CC)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCC(NC)CC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC(=O)O)cc2F)N1CC(C)(C)F
• InChI: InChI=1S/C42H48F3N5O3.C25H26F3NO3.C18H25N3O.C17H24N4O.C12H12ClNO.C7H15N/c1-6-27-17-36-28(18-37(27)51)16-26(21-46-36)22-49-13-11-29(12-14-49)48(5)38(52)23-53-30-19-33(43)39(34(44)20-30)41-40-32(31-9-7-8-10-35(31)47-40)15-25(2)50(41)24-42(3,4)45;1-14-8-18-17-7-5-4-6-15(17)9-19(18)24(29(14)13-25(2,3)28)23-20(26)10-16(11-21(23)27)32-12-22(30)31;1-3-13-5-7-21(8-6-13)12-14-9-17-16(19-11-14)10-15(4-2)18(22)20-17;1-3-13-9-15-16(20-17(13)22)8-12(10-19-15)11-21-6-4-14(18-2)5-7-21;1-2-9-4-11-10(5-12(9)15)3-8(6-13)7-14-11;1-2-7-3-5-8-6-4-7/h7-10,16-17,19-21,25,29,41,47H,6,11-15,18,22-24H2,1-5H3;4-7,10-11,14,24H,8-9,12-13H2,1-3H3,(H,30,31);9-11,13H,3-8,12H2,1-2H3,(H,20,22);8-10,14,18H,3-7,11H2,1-2H3,(H,20,22);3-4,7H,2,5-6H2,1H3;7-8H,2-6H2,1H3/t25-,41-;14-,24+;;;;/m11..../s1
• InChIKey: LUUFVUOPAYLPGQ-LMUUVJRLSA-N
• XLogP: 21.58
• TPSA: 283.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.07
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine?

The IUPAC name of 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine (CID 167616443) is 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine.

What is the SMILES notation for 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine?

The canonical SMILES for 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine is CCC1=Cc2ncc(CCl)cc2CC1=O.CCC1=Cc2ncc(CN3CCC(N(C)C(=O)COc4cc(F)c([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(C)(C)F)c(F)c4)CC3)cc2CC1=O.CCC1CCNCC1.CCc1cc2ncc(CN3CCC(CC)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCC(NC)CC3)cc2[nH]c1=O.C[C@@H]1CC2=C(Cc3ccccc32)[C@@H](c2c(F)cc(OCC(=O)O)cc2F)N1CC(C)(C)F.

What is the InChIKey of 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine?

The InChIKey is LUUFVUOPAYLPGQ-LMUUVJRLSA-N. The full InChI is InChI=1S/C42H48F3N5O3.C25H26F3NO3.C18H25N3O.C17H24N4O.C12H12ClNO.C7H15N/c1-6-27-17-36-28(18-37(27)51)16-26(21-46-36)22-49-13-11-29(12-14-49)48(5)38(52)23-53-30-19-33(43)39(34(44)20-30)41-40-32(31-9-7-8-10-35(31)47-40)15-25(2)50(41)24-42(3,4)45;1-14-8-18-17-7-5-4-6-15(17)9-19(18)24(29(14)13-25(2,3)28)23-20(26)10-16(11-21(23)27)32-12-22(30)31;1-3-13-5-7-21(8-6-13)12-14-9-17-16(19-11-14)10-15(4-2)18(22)20-17;1-3-13-9-15-16(20-17(13)22)8-12(10-19-15)11-21-6-4-14(18-2)5-7-21;1-2-9-4-11-10(5-12(9)15)3-8(6-13)7-14-11;1-2-7-3-5-8-6-4-7/h7-10,16-17,19-21,25,29,41,47H,6,11-15,18,22-24H2,1-5H3;4-7,10-11,14,24H,8-9,12-13H2,1-3H3,(H,30,31);9-11,13H,3-8,12H2,1-2H3,(H,20,22);8-10,14,18H,3-7,11H2,1-2H3,(H,20,22);3-4,7H,2,5-6H2,1H3;7-8H,2-6H2,1H3/t25-,41-;14-,24+;;;;/m11..../s1.

What are the key properties of 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine?

3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine has a molecular weight of 2108.07 g/mol, XLogP of 21.58, 27 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(chloromethyl)-7-ethyl-5H-quinolin-6-one;2-[3,5-difluoro-4-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]phenoxy]acetic acid;2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-N-[1-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperidin-4-yl]-N-methylacetamide;3-ethyl-7-[(4-ethylpiperidin-1-yl)methyl]-1H-1,5-naphthyridin-2-one;3-ethyl-7-[[4-(methylamino)piperidin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;4-ethylpiperidine is sourced from PubChem (CID 167616443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).