3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

C89H119N7O7 — CID 159038834

About 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (PubChem CID 159038834) has the molecular formula C89H119N7O7 and a molecular weight of 1398.97 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

Molecular Properties

• Compound Name: 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• PubChem CID: 159038834
• Molecular Formula: C89H119N7O7
• Molecular Weight: 1398.97 g/mol
• Exact Mass: 1397.92
• IUPAC Name: 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• SMILES: C=C(O)C(c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)C(c1ccccc1C1C[C@H]1OC)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.C=C(O)[C@@H](c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/2C30H40N2O2.C29H39N3O3/c2*1-22(33)30(28-14-4-3-13-27(28)23-10-8-11-23)32-19-18-26(21-32)34-20-7-6-12-25-17-16-24-9-2-5-15-29(24)31-25;1-20(33)28(25-11-4-3-10-24(25)26-18-27(26)34-2)32-16-14-23(19-32)35-17-6-5-9-22-13-12-21-8-7-15-30-29(21)31-22/h2*3-4,13-14,16-17,23,26,30,33H,1-2,5-12,15,18-21H2;3-4,10-13,23,26-28,33H,1,5-9,14-19H2,2H3,(H,30,31)/t26-,30?;26-,30+;23-,26?,27-,28?/m111/s1
• InChIKey: JVUDQSAXFIUHAE-GCQHJGHASA-N
• XLogP: 18.08
• TPSA: 158.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 31
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.97
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The IUPAC name of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (CID 159038834) is 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

What is the SMILES notation for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The canonical SMILES for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is C=C(O)C(c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)C(c1ccccc1C1C[C@H]1OC)N1CC[C@@H](OCCCCc2ccc3c(n2)NCCC3)C1.C=C(O)[C@@H](c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The InChIKey is JVUDQSAXFIUHAE-GCQHJGHASA-N. The full InChI is InChI=1S/2C30H40N2O2.C29H39N3O3/c2*1-22(33)30(28-14-4-3-13-27(28)23-10-8-11-23)32-19-18-26(21-32)34-20-7-6-12-25-17-16-24-9-2-5-15-29(24)31-25;1-20(33)28(25-11-4-3-10-24(25)26-18-27(26)34-2)32-16-14-23(19-32)35-17-6-5-9-22-13-12-21-8-7-15-30-29(21)31-22/h2*3-4,13-14,16-17,23,26,30,33H,1-2,5-12,15,18-21H2;3-4,10-13,23,26-28,33H,1,5-9,14-19H2,2H3,(H,30,31)/t26-,30?;26-,30+;23-,26?,27-,28?/m111/s1.

What are the key properties of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol has a molecular weight of 1398.97 g/mol, XLogP of 18.08, 31 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;3-[2-[(2R)-2-methoxycyclopropyl]phenyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is sourced from PubChem (CID 159038834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).