4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

C34H27N5O5 — CID 67017411

About 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (PubChem CID 67017411) has the molecular formula C34H27N5O5 and a molecular weight of 585.62 g/mol. Its IUPAC name is 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
• PubChem CID: 67017411
• Molecular Formula: C34H27N5O5
• Molecular Weight: 585.62 g/mol
• Exact Mass: 585.20
• IUPAC Name: 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(N(C(=O)c4c(Nc5ccccc5)cc[nH]c4=O)c4ccccc4)nc3)c2cc1OC
• InChI: InChI=1S/C34H27N5O5/c1-42-29-19-25-27(20-30(29)43-2)35-18-16-28(25)44-24-13-14-31(37-21-24)39(23-11-7-4-8-12-23)34(41)32-26(15-17-36-33(32)40)38-22-9-5-3-6-10-22/h3-21H,1-2H3,(H2,36,38,40)
• InChIKey: OKAFBKFAMBMLHZ-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 118.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.62
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?

The IUPAC name of 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (CID 67017411) is 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.

What is the SMILES notation for 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?

The canonical SMILES for 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(N(C(=O)c4c(Nc5ccccc5)cc[nH]c4=O)c4ccccc4)nc3)c2cc1OC.

What is the InChIKey of 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?

The InChIKey is OKAFBKFAMBMLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O5/c1-42-29-19-25-27(20-30(29)43-2)35-18-16-28(25)44-24-13-14-31(37-21-24)39(23-11-7-4-8-12-23)34(41)32-26(15-17-36-33(32)40)38-22-9-5-3-6-10-22/h3-21H,1-2H3,(H2,36,38,40).

What are the key properties of 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?

4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 585.62 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 67017411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).