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

C59H40ClF4N7O12 — CID 163506832

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

N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide (PubChem CID 163506832) has the molecular formula C59H40ClF4N7O12 and a molecular weight of 1150.45 g/mol. Its IUPAC name is N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide
• PubChem CID: 163506832
• Molecular Formula: C59H40ClF4N7O12
• Molecular Weight: 1150.45 g/mol
• Exact Mass: 1149.24
• IUPAC Name: N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide
• SMILES: COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)cc1F.Cn1cc(C(=O)Nc2cc(F)c(Oc3ccnc4ccc5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H21F2N3O6.C29H19ClF2N4O6/c1-38-23-11-13-35(18-4-2-17(31)3-5-18)30(37)27(23)29(36)34-21-7-6-19(16-20(21)32)41-24-10-12-33-22-8-9-25-28(26(22)24)40-15-14-39-25;1-35-14-17(28(38)36(29(35)39)16-4-2-15(31)3-5-16)27(37)34-21-13-19(32)24(12-18(21)30)42-22-8-9-33-20-6-7-23-26(25(20)22)41-11-10-40-23/h2-13,16H,14-15H2,1H3,(H,34,36);2-9,12-14H,10-11H2,1H3,(H,34,37)
• InChIKey: CZGUTMWDGFKSMF-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 214.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.45
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide (CID 163506832) is N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide is COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3ccc4c(c23)OCCO4)cc1F.Cn1cc(C(=O)Nc2cc(F)c(Oc3ccnc4ccc5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O.

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

The InChIKey is CZGUTMWDGFKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N3O6.C29H19ClF2N4O6/c1-38-23-11-13-35(18-4-2-17(31)3-5-18)30(37)27(23)29(36)34-21-7-6-19(16-20(21)32)41-24-10-12-33-22-8-9-25-28(26(22)24)40-15-14-39-25;1-35-14-17(28(38)36(29(35)39)16-4-2-15(31)3-5-16)27(37)34-21-13-19(32)24(12-18(21)30)42-22-8-9-33-20-6-7-23-26(25(20)22)41-11-10-40-23/h2-13,16H,14-15H2,1H3,(H,34,36);2-9,12-14H,10-11H2,1H3,(H,34,37).

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

N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide has a molecular weight of 1150.45 g/mol, XLogP of 10.32, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-2-fluorophenyl]-1-(4-fluorophenyl)-4-methoxy-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163506832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).