bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

C145H195N15O10 — CID 157193646

About bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (PubChem CID 157193646) has the molecular formula C145H195N15O10 and a molecular weight of 2308.25 g/mol. Its IUPAC name is bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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: bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• PubChem CID: 157193646
• Molecular Formula: C145H195N15O10
• Molecular Weight: 2308.25 g/mol
• Exact Mass: 2306.52
• IUPAC Name: bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.C=C(O)[C@@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/5C29H39N3O2/c3*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;2*1-21(33)29(26-12-7-17-30-28(26)23-9-6-10-23)32-18-16-25(20-32)34-19-5-4-11-24-15-14-22-8-2-3-13-27(22)31-24/h3*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;2*7,12,14-15,17,23,25,29,33H,1-6,8-11,13,16,18-20H2/t2*22-,25+,29?;22-,25-,29?;25-,29+;25-,29-/m00111/s1
• InChIKey: APZIUERKQTZGRC-YVCJXVPKSA-N
• XLogP: 29.47
• TPSA: 292.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 50
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2308.25
LogP ≤ 5	29.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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 bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (CID 157193646) is bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.C=C(O)C(c1cccnc1C1CCC1)N1CC[C@@H](OCCCC[C@H]2CCc3cccnc3C2)C1.C=C(O)[C@@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@H](c1cccnc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 APZIUERKQTZGRC-YVCJXVPKSA-N. The full InChI is InChI=1S/5C29H39N3O2/c3*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;2*1-21(33)29(26-12-7-17-30-28(26)23-9-6-10-23)32-18-16-25(20-32)34-19-5-4-11-24-15-14-22-8-2-3-13-27(22)31-24/h3*5-6,10-11,15-16,22,24-25,29,33H,1-4,7-9,12-14,17-20H2;2*7,12,14-15,17,23,25,29,33H,1-6,8-11,13,16,18-20H2/t2*22-,25+,29?;22-,25-,29?;25-,29+;25-,29-/m00111/s1.

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

bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 2308.25 g/mol, XLogP of 29.47, 50 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]butoxy]pyrrolidin-1-yl]prop-1-en-2-ol);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;(3R)-3-(2-cyclobutyl-3-pyridinyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3S)-3-(2-cyclobutyl-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 157193646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).