cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

C32H31N3O4 — CID 142258932

About cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 142258932) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 142258932
• Molecular Formula: C32H31N3O4
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.23
• IUPAC Name: cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
• SMILES: NC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CC[C@@H](O)C1
• InChI: InChI=1S/C32H31N3O4/c33-30(37)27-18-32(27,31(38)35-15-14-24(36)19-35)17-21-10-12-25(13-11-21)39-20-23-16-29(22-6-2-1-3-7-22)34-28-9-5-4-8-26(23)28/h1-13,16,24,27,36H,14-15,17-20H2,(H2,33,37)/t24-,27-,32+/m1/s1
• InChIKey: AXRUAPCHURKBBA-RNHDNODOSA-N
• XLogP: 4.11
• TPSA: 105.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (CID 142258932) is cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CC[C@@H](O)C1.

What is the InChIKey of cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is AXRUAPCHURKBBA-RNHDNODOSA-N. The full InChI is InChI=1S/C32H31N3O4/c33-30(37)27-18-32(27,31(38)35-15-14-24(36)19-35)17-21-10-12-25(13-11-21)39-20-23-16-29(22-6-2-1-3-7-22)34-28-9-5-4-8-26(23)28/h1-13,16,24,27,36H,14-15,17-20H2,(H2,33,37)/t24-,27-,32+/m1/s1.

What are the key properties of cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142258932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).