N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide

C33H28N4O5 — CID 121361538

About N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide (PubChem CID 121361538) has the molecular formula C33H28N4O5 and a molecular weight of 560.61 g/mol. Its IUPAC name is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide
• PubChem CID: 121361538
• Molecular Formula: C33H28N4O5
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.21
• IUPAC Name: N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide
• SMILES: COc1ccc2c(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCC(C)(C)C5=O)nc3)ccnc2c1
• InChI: InChI=1S/C33H28N4O5/c1-33(2)15-13-27-24(30(33)38)18-25(32(40)37(27)20-7-5-4-6-8-20)31(39)36-29-12-10-22(19-35-29)42-28-14-16-34-26-17-21(41-3)9-11-23(26)28/h4-12,14,16-19H,13,15H2,1-3H3,(H,35,36,39)
• InChIKey: QAVYJCJAPABADQ-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide?

The IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide (CID 121361538) is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide.

What is the SMILES notation for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide?

The canonical SMILES for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4cc5c(n(-c6ccccc6)c4=O)CCC(C)(C)C5=O)nc3)ccnc2c1.

What is the InChIKey of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide?

The InChIKey is QAVYJCJAPABADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O5/c1-33(2)15-13-27-24(30(33)38)18-25(32(40)37(27)20-7-5-4-6-8-20)31(39)36-29-12-10-22(19-35-29)42-28-14-16-34-26-17-21(41-3)9-11-23(26)28/h4-12,14,16-19H,13,15H2,1-3H3,(H,35,36,39).

What are the key properties of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide?

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide has a molecular weight of 560.61 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 121361538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).