N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C30H26F2N4O6 — CID 121486337

About N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 121486337) has the molecular formula C30H26F2N4O6 and a molecular weight of 576.50 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 121486337
• Molecular Formula: C30H26F2N4O6
• Molecular Weight: 576.50 g/mol
• Exact Mass: 576.18
• IUPAC Name: N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCN1C=C(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=CCNC5=CC(=C(C=C45)OC)OC)F
• InChI: InChI=1S/C30H26F2N4O6/c1-4-35-16-21(29(38)36(30(35)39)19-8-5-17(31)6-9-19)28(37)34-18-7-10-25(22(32)13-18)42-24-11-12-33-23-15-27(41-3)26(40-2)14-20(23)24/h5-11,13-16,33H,4,12H2,1-3H3,(H,34,37)
• InChIKey: WAKQMRGPKWPQTJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 109.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: 1080

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 121486337) is N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is CCN1C=C(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=CCNC5=CC(=C(C=C45)OC)OC)F.

What is the InChIKey of N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is WAKQMRGPKWPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O6/c1-4-35-16-21(29(38)36(30(35)39)19-8-5-17(31)6-9-19)28(37)34-18-7-10-25(22(32)13-18)42-24-11-12-33-23-15-27(41-3)26(40-2)14-20(23)24/h5-11,13-16,33H,4,12H2,1-3H3,(H,34,37).

What are the key properties of N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 576.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6,7-dimethoxy-1,2-dihydroquinolin-4-yl)oxy]-3-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 121486337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).