ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride

C61H87ClN6O4 — CID 160873599

About ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride

ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 160873599) has the molecular formula C61H87ClN6O4 and a molecular weight of 1003.86 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

• Compound Name: ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride
• PubChem CID: 160873599
• Molecular Formula: C61H87ClN6O4
• Molecular Weight: 1003.86 g/mol
• Exact Mass: 1002.65
• IUPAC Name: ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride
• SMILES: CCOC(=O)C(C)c1cccnc1C1CC1.CCOC(=O)C(c1cccnc1C1CC1)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.Cl.c1cc2c(nc1CCCCC[C@@H]1CCNC1)CCCC2
• InChI: InChI=1S/C30H41N3O2.C18H28N2.C13H17NO2.ClH/c1-2-35-30(34)29(26-12-8-19-31-28(26)24-14-15-24)33-20-18-22(21-33)9-4-3-5-11-25-17-16-23-10-6-7-13-27(23)32-25;1(2-6-15-12-13-19-14-15)3-8-17-11-10-16-7-4-5-9-18(16)20-17;1-3-16-13(15)9(2)11-5-4-8-14-12(11)10-6-7-10;/h8,12,16-17,19,22,24,29H,2-7,9-11,13-15,18,20-21H2,1H3;10-11,15,19H,1-9,12-14H2;4-5,8-10H,3,6-7H2,1-2H3;1H/t22-,29?;15-;;/m11../s1
• InChIKey: DWJRCUBPQSMPCR-OGAFGYHPSA-N
• XLogP: 12.68
• TPSA: 119.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.86
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

The IUPAC name of ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 160873599) is ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride.

What is the SMILES notation for ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

The canonical SMILES for ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride is CCOC(=O)C(C)c1cccnc1C1CC1.CCOC(=O)C(c1cccnc1C1CC1)N1CC[C@@H](CCCCCc2ccc3c(n2)CCCC3)C1.Cl.c1cc2c(nc1CCCCC[C@@H]1CCNC1)CCCC2.

What is the InChIKey of ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

The InChIKey is DWJRCUBPQSMPCR-OGAFGYHPSA-N. The full InChI is InChI=1S/C30H41N3O2.C18H28N2.C13H17NO2.ClH/c1-2-35-30(34)29(26-12-8-19-31-28(26)24-14-15-24)33-20-18-22(21-33)9-4-3-5-11-25-17-16-23-10-6-7-13-27(23)32-25;1(2-6-15-12-13-19-14-15)3-8-17-11-10-16-7-4-5-9-18(16)20-17;1-3-16-13(15)9(2)11-5-4-8-14-12(11)10-6-7-10;/h8,12,16-17,19,22,24,29H,2-7,9-11,13-15,18,20-21H2,1H3;10-11,15,19H,1-9,12-14H2;4-5,8-10H,3,6-7H2,1-2H3;1H/t22-,29?;15-;;/m11../s1.

What are the key properties of ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 1003.86 g/mol, XLogP of 12.68, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(2-cyclopropyl-3-pyridinyl)propanoate;ethyl 2-(2-cyclopropyl-3-pyridinyl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydroquinolin-2-yl)pentyl]pyrrolidin-1-yl]acetate;2-[5-[(3R)-pyrrolidin-3-yl]pentyl]-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 160873599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).