(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

C120H166N12O9 — CID 158409050

About (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (PubChem CID 158409050) has the molecular formula C120H166N12O9 and a molecular weight of 1920.72 g/mol. Its IUPAC name is (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

Molecular Properties

• Compound Name: (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• PubChem CID: 158409050
• Molecular Formula: C120H166N12O9
• Molecular Weight: 1920.72 g/mol
• Exact Mass: 1919.29
• IUPAC Name: (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• SMILES: C.C=C(C)C(c1cccnc1C1CC(OC)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)C(c1cccnc1C1CC(OC)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)[C@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1
• InChI: InChI=1S/C31H43N3O2.C30H41N3O3.2C29H39N3O2.CH4/c1-22(2)31(28-11-8-16-32-30(28)24-19-27(20-24)35-3)34-17-15-26(21-34)36-18-7-6-10-25-14-13-23-9-4-5-12-29(23)33-25;1-21(34)30(27-10-7-15-31-29(27)23-18-26(19-23)35-2)33-16-14-25(20-33)36-17-6-5-9-24-13-12-22-8-3-4-11-28(22)32-24;2*1-21(33)29(26-11-6-16-31-28(26)24-8-4-9-24)32-17-14-25(20-32)34-18-3-2-7-22-12-13-23-10-5-15-30-27(23)19-22;/h8,11,13-14,16,24,26-27,31H,1,4-7,9-10,12,15,17-21H2,2-3H3;7,10,12-13,15,23,25-26,30,34H,1,3-6,8-9,11,14,16-20H2,2H3;2*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;1H4/t24?,26-,27?,31?;23?,25-,26?,30?;22-,25-,29+;22-,25-,29-;/m1111./s1
• InChIKey: GZBKVNKHRIXROX-LEKVYULNSA-N
• XLogP: 23.94
• TPSA: 232.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.72
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The IUPAC name of (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (CID 158409050) is (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

What is the SMILES notation for (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The canonical SMILES for (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is C.C=C(C)C(c1cccnc1C1CC(OC)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)C(c1cccnc1C1CC(OC)C1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)[C@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.

What is the InChIKey of (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The InChIKey is GZBKVNKHRIXROX-LEKVYULNSA-N. The full InChI is InChI=1S/C31H43N3O2.C30H41N3O3.2C29H39N3O2.CH4/c1-22(2)31(28-11-8-16-32-30(28)24-19-27(20-24)35-3)34-17-15-26(21-34)36-18-7-6-10-25-14-13-23-9-4-5-12-29(23)33-25;1-21(34)30(27-10-7-15-31-29(27)23-18-26(19-23)35-2)33-16-14-25(20-33)36-17-6-5-9-24-13-12-22-8-3-4-11-28(22)32-24;2*1-21(33)29(26-11-6-16-31-28(26)24-8-4-9-24)32-17-14-25(20-32)34-18-3-2-7-22-12-13-23-10-5-15-30-27(23)19-22;/h8,11,13-14,16,24,26-27,31H,1,4-7,9-10,12,15,17-21H2,2-3H3;7,10,12-13,15,23,25-26,30,34H,1,3-6,8-9,11,14,16-20H2,2H3;2*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;1H4/t24?,26-,27?,31?;23?,25-,26?,30?;22-,25-,29+;22-,25-,29-;/m1111./s1.

What are the key properties of (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol has a molecular weight of 1920.72 g/mol, XLogP of 23.94, 42 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;methane;2-[4-[(3R)-1-[1-[2-(3-methoxycyclobutyl)-3-pyridinyl]-2-methylprop-2-enyl]pyrrolidin-3-yl]oxybutyl]-5,6,7,8-tetrahydroquinoline;3-[2-(3-methoxycyclobutyl)-3-pyridinyl]-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is sourced from PubChem (CID 158409050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).