N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C31H26FN5O6 — CID 155364736

About N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 155364736) has the molecular formula C31H26FN5O6 and a molecular weight of 583.58 g/mol. Its IUPAC name is N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
• PubChem CID: 155364736
• Molecular Formula: C31H26FN5O6
• Molecular Weight: 583.58 g/mol
• Exact Mass: 583.19
• IUPAC Name: N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
• SMILES: COc1cc2ncnc(OC3C=NC(NC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)CCCC5=O)=CC3)c2cc1OC
• InChI: InChI=1S/C31H26FN5O6/c1-41-26-13-20-23(14-27(26)42-2)34-16-35-30(20)43-19-10-11-28(33-15-19)36-29(39)22-12-21-24(4-3-5-25(21)38)37(31(22)40)18-8-6-17(32)7-9-18/h6-9,11-16,19H,3-5,10H2,1-2H3,(H,36,39)
• InChIKey: YEQBYCGNIGNLDI-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 134.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.58
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 155364736) is N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

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

The canonical SMILES for N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is COc1cc2ncnc(OC3C=NC(NC(=O)c4cc5c(n(-c6ccc(F)cc6)c4=O)CCCC5=O)=CC3)c2cc1OC.

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

The InChIKey is YEQBYCGNIGNLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O6/c1-41-26-13-20-23(14-27(26)42-2)34-16-35-30(20)43-19-10-11-28(33-15-19)36-29(39)22-12-21-24(4-3-5-25(21)38)37(31(22)40)18-8-6-17(32)7-9-18/h6-9,11-16,19H,3-5,10H2,1-2H3,(H,36,39).

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

N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 583.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-3,4-dihydropyridin-6-yl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 155364736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).