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

C59H44F2N8O12 — CID 163740451

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

N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 163740451) has the molecular formula C59H44F2N8O12 and a molecular weight of 1095.04 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 163740451
• Molecular Formula: C59H44F2N8O12
• Molecular Weight: 1095.04 g/mol
• Exact Mass: 1094.30
• IUPAC Name: N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.Cn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H23FN4O6.C29H21FN4O6/c1-2-34-17-22(29(37)35(30(34)38)20-7-3-18(31)4-8-20)28(36)33-19-5-9-21(10-6-19)41-24-13-14-32-23-11-12-25-27(26(23)24)40-16-15-39-25;1-33-16-21(28(36)34(29(33)37)19-6-2-17(30)3-7-19)27(35)32-18-4-8-20(9-5-18)40-23-12-13-31-22-10-11-24-26(25(22)23)39-15-14-38-24/h3-14,17H,2,15-16H2,1H3,(H,33,36);2-13,16H,14-15H2,1H3,(H,32,35)
• InChIKey: LHGJVRQVPCGTTQ-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 227.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1095.04
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 163740451) is N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.Cn1cc(C(=O)Nc2ccc(Oc3ccnc4ccc5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.

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

The InChIKey is LHGJVRQVPCGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O6.C29H21FN4O6/c1-2-34-17-22(29(37)35(30(34)38)20-7-3-18(31)4-8-20)28(36)33-19-5-9-21(10-6-19)41-24-13-14-32-23-11-12-25-27(26(23)24)40-16-15-39-25;1-33-16-21(28(36)34(29(33)37)19-6-2-17(30)3-7-19)27(35)32-18-4-8-20(9-5-18)40-23-12-13-31-22-10-11-24-26(25(22)23)39-15-14-38-24/h3-14,17H,2,15-16H2,1H3,(H,33,36);2-13,16H,14-15H2,1H3,(H,32,35).

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

N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 1095.04 g/mol, XLogP of 8.56, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)phenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 163740451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).