2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide

C32H35N3O2 — CID 35671864

About 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide (PubChem CID 35671864) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
• PubChem CID: 35671864
• Molecular Formula: C32H35N3O2
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.27
• IUPAC Name: 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCC3)c3ccccc3n2)c1
• InChI: InChI=1S/C32H35N3O2/c1-22(2)23-13-15-24(16-14-23)31(35-17-6-7-18-35)21-33-32(36)28-20-30(25-9-8-10-26(19-25)37-3)34-29-12-5-4-11-27(28)29/h4-5,8-16,19-20,22,31H,6-7,17-18,21H2,1-3H3,(H,33,36)/t31-/m0/s1
• InChIKey: GURSRVNKCDGKNP-HKBQPEDESA-N
• XLogP: 6.60
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide?

The IUPAC name of 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide (CID 35671864) is 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCC3)c3ccccc3n2)c1.

What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide?

The InChIKey is GURSRVNKCDGKNP-HKBQPEDESA-N. The full InChI is InChI=1S/C32H35N3O2/c1-22(2)23-13-15-24(16-14-23)31(35-17-6-7-18-35)21-33-32(36)28-20-30(25-9-8-10-26(19-25)37-3)34-29-12-5-4-11-27(28)29/h4-5,8-16,19-20,22,31H,6-7,17-18,21H2,1-3H3,(H,33,36)/t31-/m0/s1.

What are the key properties of 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide?

2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 35671864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).