1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide

C35H35ClFN5O6 — CID 141406112

About 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide

1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide (PubChem CID 141406112) has the molecular formula C35H35ClFN5O6 and a molecular weight of 676.15 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide
• PubChem CID: 141406112
• Molecular Formula: C35H35ClFN5O6
• Molecular Weight: 676.15 g/mol
• Exact Mass: 675.23
• IUPAC Name: 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C35H35ClFN5O6/c1-22-33(40(2)35(44)42(22)28-8-5-4-7-25(28)36)34(43)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(45-3)20-24(27)29)47-16-6-13-41-14-17-46-18-15-41/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,43)
• InChIKey: FESJLMXWJIPZDX-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 109.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.15
LogP ≤ 5	5.98
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 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide (CID 141406112) is 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide?

The InChIKey is FESJLMXWJIPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClFN5O6/c1-22-33(40(2)35(44)42(22)28-8-5-4-7-25(28)36)34(43)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(45-3)20-24(27)29)47-16-6-13-41-14-17-46-18-15-41/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,43).

What are the key properties of 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide?

1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide has a molecular weight of 676.15 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxoimidazole-4-carboxamide is sourced from PubChem (CID 141406112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).