7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one

C133H171N7O23 — CID 160855952

About 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one

7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one (PubChem CID 160855952) has the molecular formula C133H171N7O23 and a molecular weight of 2235.86 g/mol. Its IUPAC name is 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 160855952
• Molecular Formula: C133H171N7O23
• Molecular Weight: 2235.86 g/mol
• Exact Mass: 2234.24
• IUPAC Name: 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one
• SMILES: COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCCOc4ccccc4C)cc3)cc21.COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCO)cc3)cc21.COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2ccccc2CCC(=O)O)cc1
• InChI: InChI=1S/C36H46N2O6.C36H46N2O5.C33H41NO7.C28H38N2O5/c1-40-20-5-19-38-33-24-27(8-9-29(33)12-15-36(38)39)26-44-35-25-37-18-16-32(35)28-10-13-31(14-11-28)43-23-22-42-21-17-30-6-3-4-7-34(30)41-2;1-27-8-3-4-9-34(27)42-23-6-5-22-41-31-15-12-29(13-16-31)32-18-19-37-25-35(32)43-26-28-10-11-30-14-17-36(39)38(33(30)24-28)20-7-21-40-2;1-37-30-9-4-3-8-27(30)24-38-19-6-20-39-28-14-11-25(12-15-28)29-17-18-34-23-32(29)41-22-21-40-31-10-5-2-7-26(31)13-16-33(35)36;1-33-16-2-14-30-26-18-21(4-5-23(26)8-11-28(30)32)20-35-27-19-29-13-12-25(27)22-6-9-24(10-7-22)34-17-3-15-31/h3-4,6-11,13-14,24,32,35,37H,5,12,15-23,25-26H2,1-2H3;3-4,8-13,15-16,24,32,35,37H,5-7,14,17-23,25-26H2,1-2H3;2-5,7-12,14-15,29,32,34H,6,13,16-24H2,1H3,(H,35,36);4-7,9-10,18,25,27,29,31H,2-3,8,11-17,19-20H2,1H3/t2*32-,35+;29-,32+;25-,27+/m1111/s1
• InChIKey: SJVXATFFDFLKRX-TVXVTDGZSA-N
• XLogP: 20.19
• TPSA: 323.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 60
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.86
LogP ≤ 5	20.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one (CID 160855952) is 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one is COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCCOc4ccccc4C)cc3)cc21.COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCO)cc3)cc21.COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2ccccc2CCC(=O)O)cc1.

What is the InChIKey of 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The InChIKey is SJVXATFFDFLKRX-TVXVTDGZSA-N. The full InChI is InChI=1S/C36H46N2O6.C36H46N2O5.C33H41NO7.C28H38N2O5/c1-40-20-5-19-38-33-24-27(8-9-29(33)12-15-36(38)39)26-44-35-25-37-18-16-32(35)28-10-13-31(14-11-28)43-23-22-42-21-17-30-6-3-4-7-34(30)41-2;1-27-8-3-4-9-34(27)42-23-6-5-22-41-31-15-12-29(13-16-31)32-18-19-37-25-35(32)43-26-28-10-11-30-14-17-36(39)38(33(30)24-28)20-7-21-40-2;1-37-30-9-4-3-8-27(30)24-38-19-6-20-39-28-14-11-25(12-15-28)29-17-18-34-23-32(29)41-22-21-40-31-10-5-2-7-26(31)13-16-33(35)36;1-33-16-2-14-30-26-18-21(4-5-23(26)8-11-28(30)32)20-35-27-19-29-13-12-25(27)22-6-9-24(10-7-22)34-17-3-15-31/h3-4,6-11,13-14,24,32,35,37H,5,12,15-23,25-26H2,1-2H3;3-4,8-13,15-16,24,32,35,37H,5-7,14,17-23,25-26H2,1-2H3;2-5,7-12,14-15,29,32,34H,6,13,16-24H2,1H3,(H,35,36);4-7,9-10,18,25,27,29,31H,2-3,8,11-17,19-20H2,1H3/t2*32-,35+;29-,32+;25-,27+/m1111/s1.

What are the key properties of 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 2235.86 g/mol, XLogP of 20.19, 60 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[(3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one;3-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]propanoic acid;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[4-(2-methylphenoxy)butoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 160855952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).