N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

C34H31ClFN3O5 — CID 59813680

About N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813680) has the molecular formula C34H31ClFN3O5 and a molecular weight of 616.09 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
• PubChem CID: 59813680
• Molecular Formula: C34H31ClFN3O5
• Molecular Weight: 616.09 g/mol
• Exact Mass: 615.19
• IUPAC Name: N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
• SMILES: COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C34H31ClFN3O5/c1-41-31-20-27-28(21-32(31)43-17-3-14-39-15-18-42-19-16-39)37-13-12-29(27)44-30-11-10-24-25(33(30)36)4-2-5-26(24)34(40)38-23-8-6-22(35)7-9-23/h2,4-13,20-21H,3,14-19H2,1H3,(H,38,40)
• InChIKey: PFDFYDFYARJHBE-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.09
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?

The IUPAC name of N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (CID 59813680) is N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

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

The canonical SMILES for N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3F)ccnc2cc1OCCCN1CCOCC1.

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

The InChIKey is PFDFYDFYARJHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClFN3O5/c1-41-31-20-27-28(21-32(31)43-17-3-14-39-15-18-42-19-16-39)37-13-12-29(27)44-30-11-10-24-25(33(30)36)4-2-5-26(24)34(40)38-23-8-6-22(35)7-9-23/h2,4-13,20-21H,3,14-19H2,1H3,(H,38,40).

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

N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 616.09 g/mol, XLogP of 7.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-5-fluoro-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).