N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide

C32H30F2N4O7 — CID 78118480

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 78118480) has the molecular formula C32H30F2N4O7 and a molecular weight of 620.61 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide
• PubChem CID: 78118480
• Molecular Formula: C32H30F2N4O7
• Molecular Weight: 620.61 g/mol
• Exact Mass: 620.21
• IUPAC Name: N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide
• SMILES: CCOCCN1CC(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O
• InChI: InChI=1S/C32H30F2N4O7/c1-4-44-14-13-37-18-23(31(40)38(32(37)41)21-8-5-19(33)6-9-21)30(39)36-20-7-10-27(24(34)15-20)45-26-11-12-35-25-17-29(43-3)28(42-2)16-22(25)26/h5-12,15-17,23H,4,13-14,18H2,1-3H3,(H,36,39)
• InChIKey: HJVVEVUCVWJOKB-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 119.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.61
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide?

The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide (CID 78118480) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide.

What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide?

The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide is CCOCCN1CC(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)C(=O)N(c2ccc(F)cc2)C1=O.

What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide?

The InChIKey is HJVVEVUCVWJOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N4O7/c1-4-44-14-13-37-18-23(31(40)38(32(37)41)21-8-5-19(33)6-9-21)30(39)36-20-7-10-27(24(34)15-20)45-26-11-12-35-25-17-29(43-3)28(42-2)16-22(25)26/h5-12,15-17,23H,4,13-14,18H2,1-3H3,(H,36,39).

What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide?

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 620.61 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(2-ethoxyethyl)-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 78118480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).