N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide

C66H62F2N10O11 — CID 159801598

About N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide (PubChem CID 159801598) has the molecular formula C66H62F2N10O11 and a molecular weight of 1209.28 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide
• PubChem CID: 159801598
• Molecular Formula: C66H62F2N10O11
• Molecular Weight: 1209.28 g/mol
• Exact Mass: 1208.46
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4cccc5cccnc45)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cn3)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C33H31FN6O6.C33H31FN4O5/c1-43-29-19-26-27(20-30(29)45-16-2-13-39-14-17-44-18-15-39)35-11-10-28(26)46-31-8-5-23(21-36-31)38-32(41)25-9-12-37-40(33(25)42)24-6-3-22(34)4-7-24;1-40-30-20-25-27(21-31(30)42-16-4-13-38-14-17-41-18-15-38)35-12-10-28(25)43-29-9-8-23(19-26(29)34)37-33(39)24-7-2-5-22-6-3-11-36-32(22)24/h3-12,19-21H,2,13-18H2,1H3,(H,38,41);2-3,5-12,19-21H,4,13-18H2,1H3,(H,37,39)
• InChIKey: NJWAOMHGTYQXJR-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 224.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.28
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide (CID 159801598) is N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4cccc5cccnc45)cc3F)ccnc2cc1OCCCN1CCOCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cn3)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide?

The InChIKey is NJWAOMHGTYQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN6O6.C33H31FN4O5/c1-43-29-19-26-27(20-30(29)45-16-2-13-39-14-17-44-18-15-39)35-11-10-28(26)46-31-8-5-23(21-36-31)38-32(41)25-9-12-37-40(33(25)42)24-6-3-22(34)4-7-24;1-40-30-20-25-27(21-31(30)42-16-4-13-38-14-17-41-18-15-38)35-12-10-28(25)43-29-9-8-23(19-26(29)34)37-33(39)24-7-2-5-22-6-3-11-36-32(22)24/h3-12,19-21H,2,13-18H2,1H3,(H,38,41);2-3,5-12,19-21H,4,13-18H2,1H3,(H,37,39).

What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide?

N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide has a molecular weight of 1209.28 g/mol, XLogP of 10.55, 21 rotatable bonds, 2 hydrogen bond donors, and 19 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]quinoline-8-carboxamide;2-(4-fluorophenyl)-N-[6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-3-pyridinyl]-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 159801598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).