N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide

C34H25F2N5O7 — CID 142563705

About N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide

N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide (PubChem CID 142563705) has the molecular formula C34H25F2N5O7 and a molecular weight of 653.60 g/mol. Its IUPAC name is N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
• PubChem CID: 142563705
• Molecular Formula: C34H25F2N5O7
• Molecular Weight: 653.60 g/mol
• Exact Mass: 653.17
• IUPAC Name: N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cn5c(c(-c6ccc(F)cc6)c4=O)C(=O)N4CCOC4C5)cc3F)c2cc1C(N)=O
• InChI: InChI=1S/C34H25F2N5O7/c1-46-27-14-24-20(13-21(27)32(37)43)25(8-9-38-24)48-26-7-6-19(12-23(26)36)39-33(44)22-15-40-16-28-41(10-11-47-28)34(45)30(40)29(31(22)42)17-2-4-18(35)5-3-17/h2-9,12-15,28H,10-11,16H2,1H3,(H2,37,43)(H,39,44)
• InChIKey: XIOAJPRUWQACHU-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 155.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.60
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?

The IUPAC name of N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide (CID 142563705) is N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide.

What is the SMILES notation for N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?

The canonical SMILES for N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn5c(c(-c6ccc(F)cc6)c4=O)C(=O)N4CCOC4C5)cc3F)c2cc1C(N)=O.

What is the InChIKey of N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?

The InChIKey is XIOAJPRUWQACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N5O7/c1-46-27-14-24-20(13-21(27)32(37)43)25(8-9-38-24)48-26-7-6-19(12-23(26)36)39-33(44)22-15-40-16-28-41(10-11-47-28)34(45)30(40)29(31(22)42)17-2-4-18(35)5-3-17/h2-9,12-15,28H,10-11,16H2,1H3,(H2,37,43)(H,39,44).

What are the key properties of N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide?

N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide has a molecular weight of 653.60 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-10-(4-fluorophenyl)-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide is sourced from PubChem (CID 142563705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).