1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide

C67H56F5N9O15 — CID 163588356

About 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide

1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 163588356) has the molecular formula C67H56F5N9O15 and a molecular weight of 1322.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 163588356
• Molecular Formula: C67H56F5N9O15
• Molecular Weight: 1322.22 g/mol
• Exact Mass: 1321.38
• IUPAC Name: 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCCN5CCOCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2.COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCF)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2
• InChI: InChI=1S/C36H33F2N5O8.C31H23F3N4O7/c1-47-30-20-27-31(33-32(30)49-17-18-50-33)29(9-10-39-27)51-28-8-5-23(19-26(28)38)40-34(44)25-21-42(12-2-11-41-13-15-48-16-14-41)36(46)43(35(25)45)24-6-3-22(37)4-7-24;1-42-25-15-22-26(28-27(25)43-12-13-44-28)24(8-10-35-22)45-23-7-4-18(14-21(23)34)36-29(39)20-16-37(11-9-32)31(41)38(30(20)40)19-5-2-17(33)3-6-19/h3-10,19-21H,2,11-18H2,1H3,(H,40,44);2-8,10,14-16H,9,11-13H2,1H3,(H,36,39)
• InChIKey: GNKAMIHSJNRPES-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 258.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.22
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide (CID 163588356) is 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCCN5CCOCC5)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2.COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CCF)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2.

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

The InChIKey is GNKAMIHSJNRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N5O8.C31H23F3N4O7/c1-47-30-20-27-31(33-32(30)49-17-18-50-33)29(9-10-39-27)51-28-8-5-23(19-26(28)38)40-34(44)25-21-42(12-2-11-41-13-15-48-16-14-41)36(46)43(35(25)45)24-6-3-22(37)4-7-24;1-42-25-15-22-26(28-27(25)43-12-13-44-28)24(8-10-35-22)45-23-7-4-18(14-21(23)34)36-29(39)20-16-37(11-9-32)31(41)38(30(20)40)19-5-2-17(33)3-6-19/h3-10,19-21H,2,11-18H2,1H3,(H,40,44);2-8,10,14-16H,9,11-13H2,1H3,(H,36,39).

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

1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 1322.22 g/mol, XLogP of 8.99, 18 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoroethyl)-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-(4-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 163588356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).