1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C63H52F2N8O15 — CID 163996937

About 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 163996937) has the molecular formula C63H52F2N8O15 and a molecular weight of 1199.15 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 163996937
• Molecular Formula: C63H52F2N8O15
• Molecular Weight: 1199.15 g/mol
• Exact Mass: 1198.35
• IUPAC Name: 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.COCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3)c2c2c1OCCO2
• InChI: InChI=1S/C32H27FN4O8.C31H25FN4O7/c1-36-18-23(31(39)37(32(36)40)21-7-3-19(33)4-8-21)30(38)35-20-5-9-22(10-6-20)45-25-11-12-34-24-17-26(42-14-13-41-2)28-29(27(24)25)44-16-15-43-28;1-3-35-17-22(30(38)36(31(35)39)20-8-4-18(32)5-9-20)29(37)34-19-6-10-21(11-7-19)43-24-12-13-33-23-16-25(40-2)27-28(26(23)24)42-15-14-41-27/h3-12,17-18H,13-16H2,1-2H3,(H,35,38);4-13,16-17H,3,14-15H2,1-2H3,(H,34,37)
• InChIKey: UFMVMVMZUZUVFZ-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 255.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.15
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 163996937) is 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.COCCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3)c2c2c1OCCO2.

What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is UFMVMVMZUZUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O8.C31H25FN4O7/c1-36-18-23(31(39)37(32(36)40)21-7-3-19(33)4-8-21)30(38)35-20-5-9-22(10-6-20)45-25-11-12-34-24-17-26(42-14-13-41-2)28-29(27(24)25)44-16-15-43-28;1-3-35-17-22(30(38)36(31(35)39)20-8-4-18(32)5-9-20)29(37)34-19-6-10-21(11-7-19)43-24-12-13-33-23-16-25(40-2)27-28(26(23)24)42-15-14-41-27/h3-12,17-18H,13-16H2,1-2H3,(H,35,38);4-13,16-17H,3,14-15H2,1-2H3,(H,34,37).

What are the key properties of 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 1199.15 g/mol, XLogP of 8.60, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(4-fluorophenyl)-N-[4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide;3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 163996937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).