N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide

C35H32N4O6 — CID 121361552

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 121361552) has the molecular formula C35H32N4O6 and a molecular weight of 604.66 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide
• PubChem CID: 121361552
• Molecular Formula: C35H32N4O6
• Molecular Weight: 604.66 g/mol
• Exact Mass: 604.23
• IUPAC Name: N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n(CCCc6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC
• InChI: InChI=1S/C35H32N4O6/c1-43-31-19-24-27(20-32(31)44-2)36-16-15-30(24)45-23-13-14-33(37-21-23)38-34(41)26-18-25-28(11-6-12-29(25)40)39(35(26)42)17-7-10-22-8-4-3-5-9-22/h3-5,8-9,13-16,18-21H,6-7,10-12,17H2,1-2H3,(H,37,38,41)
• InChIKey: VJBBUGMAFSVXLA-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 121.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.66
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide?

The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide (CID 121361552) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide.

What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide?

The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cc5c(n(CCCc6ccccc6)c4=O)CCCC5=O)nc3)c2cc1OC.

What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide?

The InChIKey is VJBBUGMAFSVXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O6/c1-43-31-19-24-27(20-32(31)44-2)36-16-15-30(24)45-23-13-14-33(37-21-23)38-34(41)26-18-25-28(11-6-12-29(25)40)39(35(26)42)17-7-10-22-8-4-3-5-9-22/h3-5,8-9,13-16,18-21H,6-7,10-12,17H2,1-2H3,(H,37,38,41).

What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide?

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 604.66 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 121361552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).