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

C34H35FN6O6 — CID 141406120

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

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide (PubChem CID 141406120) has the molecular formula C34H35FN6O6 and a molecular weight of 642.69 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide
• PubChem CID: 141406120
• Molecular Formula: C34H35FN6O6
• Molecular Weight: 642.69 g/mol
• Exact Mass: 642.26
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccncc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C34H35FN6O6/c1-22-32(39(2)34(43)41(22)24-7-10-36-11-8-24)33(42)38-23-5-6-29(26(35)19-23)47-28-9-12-37-27-21-31(30(44-3)20-25(27)28)46-16-4-13-40-14-17-45-18-15-40/h5-12,19-21H,4,13-18H2,1-3H3,(H,38,42)
• InChIKey: VHKVDOMICRQSIN-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 121.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.69
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide (CID 141406120) is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide.

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

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccncc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1.

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

The InChIKey is VHKVDOMICRQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6O6/c1-22-32(39(2)34(43)41(22)24-7-10-36-11-8-24)33(42)38-23-5-6-29(26(35)19-23)47-28-9-12-37-27-21-31(30(44-3)20-25(27)28)46-16-4-13-40-14-17-45-18-15-40/h5-12,19-21H,4,13-18H2,1-3H3,(H,38,42).

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

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide has a molecular weight of 642.69 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-pyridin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 141406120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).