8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline

C167H196N18O12 — CID 160604463

About 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline

8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline (PubChem CID 160604463) has the molecular formula C167H196N18O12 and a molecular weight of 2647.52 g/mol. Its IUPAC name is 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline
• PubChem CID: 160604463
• Molecular Formula: C167H196N18O12
• Molecular Weight: 2647.52 g/mol
• Exact Mass: 2645.53
• IUPAC Name: 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline
• SMILES: c1ccc(COCCCc2cccc3c2N(c2cncc(OC[C@@H]4CCCN4)c2)CCC3)cc1.c1ccc(COCCc2ccc3c(c2)N(c2cncc(OC[C@@H]4CCCN4)c2)CCC3)cc1.c1ccc(COCCc2cccc3c2CCCN3c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCc2cccc3c2CN(c2cncc(OC[C@@H]4CCCN4)c2)CC3)cc1.c1ccc(COCc2ccc3c(c2)CCCN3c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCc2ccc3c(c2)CN(c2cncc(OC[C@@H]4CCCN4)c2)CC3)cc1
• InChI: InChI=1S/C29H35N3O2.3C28H33N3O2.2C27H31N3O2/c1-2-8-23(9-3-1)21-33-17-7-13-25-11-4-10-24-12-6-16-32(29(24)25)27-18-28(20-30-19-27)34-22-26-14-5-15-31-26;1-2-7-22(8-3-1)20-32-16-13-23-9-4-12-28-27(23)11-6-15-31(28)25-17-26(19-29-18-25)33-21-24-10-5-14-30-24;1-2-6-23(7-3-1)20-32-15-12-22-10-11-24-8-5-14-31(28(24)16-22)26-17-27(19-29-18-26)33-21-25-9-4-13-30-25;1-2-6-22(7-3-1)20-32-15-12-24-9-4-8-23-11-14-31(19-28(23)24)26-16-27(18-29-17-26)33-21-25-10-5-13-30-25;1-2-6-21(7-3-1)18-31-19-22-10-11-27-23(14-22)8-5-13-30(27)25-15-26(17-28-16-25)32-20-24-9-4-12-29-24;1-2-5-21(6-3-1)18-31-19-22-8-9-23-10-12-30(17-24(23)13-22)26-14-27(16-28-15-26)32-20-25-7-4-11-29-25/h1-4,8-11,18-20,26,31H,5-7,12-17,21-22H2;1-4,7-9,12,17-19,24,30H,5-6,10-11,13-16,20-21H2;1-3,6-7,10-11,16-19,25,30H,4-5,8-9,12-15,20-21H2;1-4,6-9,16-18,25,30H,5,10-15,19-21H2;1-3,6-7,10-11,14-17,24,29H,4-5,8-9,12-13,18-20H2;1-3,5-6,8-9,13-16,25,29H,4,7,10-12,17-20H2/t26-;24-;2*25-;24-;25-/m000000/s1
• InChIKey: RERUNEHAVGCEMZ-WTUWXAHNSA-N
• XLogP: 29.60
• TPSA: 279.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 53
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2647.52
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline (CID 160604463) is 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline is c1ccc(COCCCc2cccc3c2N(c2cncc(OC[C@@H]4CCCN4)c2)CCC3)cc1.c1ccc(COCCc2ccc3c(c2)N(c2cncc(OC[C@@H]4CCCN4)c2)CCC3)cc1.c1ccc(COCCc2cccc3c2CCCN3c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCc2cccc3c2CN(c2cncc(OC[C@@H]4CCCN4)c2)CC3)cc1.c1ccc(COCc2ccc3c(c2)CCCN3c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCc2ccc3c(c2)CN(c2cncc(OC[C@@H]4CCCN4)c2)CC3)cc1.

What is the InChIKey of 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline?

The InChIKey is RERUNEHAVGCEMZ-WTUWXAHNSA-N. The full InChI is InChI=1S/C29H35N3O2.3C28H33N3O2.2C27H31N3O2/c1-2-8-23(9-3-1)21-33-17-7-13-25-11-4-10-24-12-6-16-32(29(24)25)27-18-28(20-30-19-27)34-22-26-14-5-15-31-26;1-2-7-22(8-3-1)20-32-16-13-23-9-4-12-28-27(23)11-6-15-31(28)25-17-26(19-29-18-25)33-21-24-10-5-14-30-24;1-2-6-23(7-3-1)20-32-15-12-22-10-11-24-8-5-14-31(28(24)16-22)26-17-27(19-29-18-26)33-21-25-9-4-13-30-25;1-2-6-22(7-3-1)20-32-15-12-24-9-4-8-23-11-14-31(19-28(23)24)26-16-27(18-29-17-26)33-21-25-10-5-13-30-25;1-2-6-21(7-3-1)18-31-19-22-10-11-27-23(14-22)8-5-13-30(27)25-15-26(17-28-16-25)32-20-24-9-4-12-29-24;1-2-5-21(6-3-1)18-31-19-22-8-9-23-10-12-30(17-24(23)13-22)26-14-27(16-28-15-26)32-20-25-7-4-11-29-25/h1-4,8-11,18-20,26,31H,5-7,12-17,21-22H2;1-4,7-9,12,17-19,24,30H,5-6,10-11,13-16,20-21H2;1-3,6-7,10-11,16-19,25,30H,4-5,8-9,12-15,20-21H2;1-4,6-9,16-18,25,30H,5,10-15,19-21H2;1-3,6-7,10-11,14-17,24,29H,4-5,8-9,12-13,18-20H2;1-3,5-6,8-9,13-16,25,29H,4,7,10-12,17-20H2/t26-;24-;2*25-;24-;25-/m000000/s1.

What are the key properties of 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline?

8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline has a molecular weight of 2647.52 g/mol, XLogP of 29.60, 53 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;5-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(2-phenylmethoxyethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-(phenylmethoxymethyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline;8-(3-phenylmethoxypropyl)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160604463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).