2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one

C132H125N15O17 — CID 123551710

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one (PubChem CID 123551710) has the molecular formula C132H125N15O17 and a molecular weight of 2193.54 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one
• PubChem CID: 123551710
• Molecular Formula: C132H125N15O17
• Molecular Weight: 2193.54 g/mol
• Exact Mass: 2191.94
• IUPAC Name: 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one
• SMILES: CCc1cccc(CNC(=O)c2cccnc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cc2c(Oc3ccc(Cc4ncccc4C(=O)CCc4ccccc4)cc3)ccnc2cc1OCCCN1CCOCC1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4cccc(C)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4cccc(C)c4)cc3)c2cc1OC
• InChI: InChI=1S/C38H39N3O5.C32H30N4O4.2C31H28N4O4/c1-43-37-26-32-34(27-38(37)45-22-6-19-41-20-23-44-24-21-41)40-18-16-36(32)46-30-13-10-29(11-14-30)25-33-31(9-5-17-39-33)35(42)15-12-28-7-3-2-4-8-28;1-4-21-7-5-8-22(17-21)20-35-32(37)25-9-6-15-34-31(25)36-23-10-12-24(13-11-23)40-28-14-16-33-27-19-30(39-3)29(38-2)18-26(27)28;2*1-20-6-4-7-21(16-20)19-34-31(36)24-8-5-14-33-30(24)35-22-9-11-23(12-10-22)39-27-13-15-32-26-18-29(38-3)28(37-2)17-25(26)27/h2-5,7-11,13-14,16-18,26-27H,6,12,15,19-25H2,1H3;5-19H,4,20H2,1-3H3,(H,34,36)(H,35,37);2*4-18H,19H2,1-3H3,(H,33,35)(H,34,36)
• InChIKey: WWDQBUITHFOOPU-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 366.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.54
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one?

The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one (CID 123551710) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one.

What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one?

The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one is CCc1cccc(CNC(=O)c2cccnc2Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.COc1cc2c(Oc3ccc(Cc4ncccc4C(=O)CCc4ccccc4)cc3)ccnc2cc1OCCCN1CCOCC1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4cccc(C)c4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4cccc(C)c4)cc3)c2cc1OC.

What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one?

The InChIKey is WWDQBUITHFOOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N3O5.C32H30N4O4.2C31H28N4O4/c1-43-37-26-32-34(27-38(37)45-22-6-19-41-20-23-44-24-21-41)40-18-16-36(32)46-30-13-10-29(11-14-30)25-33-31(9-5-17-39-33)35(42)15-12-28-7-3-2-4-8-28;1-4-21-7-5-8-22(17-21)20-35-32(37)25-9-6-15-34-31(25)36-23-10-12-24(13-11-23)40-28-14-16-33-27-19-30(39-3)29(38-2)18-26(27)28;2*1-20-6-4-7-21(16-20)19-34-31(36)24-8-5-14-33-30(24)35-22-9-11-23(12-10-22)39-27-13-15-32-26-18-29(38-3)28(37-2)17-25(26)27/h2-5,7-11,13-14,16-18,26-27H,6,12,15,19-25H2,1H3;5-19H,4,20H2,1-3H3,(H,34,36)(H,35,37);2*4-18H,19H2,1-3H3,(H,33,35)(H,34,36).

What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one?

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one has a molecular weight of 2193.54 g/mol, XLogP of 26.46, 42 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-ethylphenyl)methyl]pyridine-3-carboxamide;bis(2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide);1-[2-[[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-3-pyridinyl]-3-phenylpropan-1-one is sourced from PubChem (CID 123551710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).