N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide

C33H33F2N5O6 — CID 24965938

About N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide

N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 24965938) has the molecular formula C33H33F2N5O6 and a molecular weight of 633.65 g/mol. Its IUPAC name is N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
• PubChem CID: 24965938
• Molecular Formula: C33H33F2N5O6
• Molecular Weight: 633.65 g/mol
• Exact Mass: 633.24
• IUPAC Name: N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C33H33F2N5O6/c1-43-30-21-27-25(20-31(30)45-16-2-11-38-14-17-44-18-15-38)28(9-10-36-27)46-29-8-5-23(19-26(29)35)37-32(41)40-13-12-39(33(40)42)24-6-3-22(34)4-7-24/h3-10,19-21H,2,11-18H2,1H3,(H,37,41)
• InChIKey: XETYZWDPAUDSEG-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 105.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.65
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The IUPAC name of N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide (CID 24965938) is N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OCCCN1CCOCC1.

What is the InChIKey of N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The InChIKey is XETYZWDPAUDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F2N5O6/c1-43-30-21-27-25(20-31(30)45-16-2-11-38-14-17-44-18-15-38)28(9-10-36-27)46-29-8-5-23(19-26(29)35)37-32(41)40-13-12-39(33(40)42)24-6-3-22(34)4-7-24/h3-10,19-21H,2,11-18H2,1H3,(H,37,41).

What are the key properties of N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 633.65 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 24965938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).