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

C30H21ClF2N4O6 — CID 156759340

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

N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 156759340) has the molecular formula C30H21ClF2N4O6 and a molecular weight of 606.97 g/mol. Its IUPAC name is N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 156759340
• Molecular Formula: C30H21ClF2N4O6
• Molecular Weight: 606.97 g/mol
• Exact Mass: 606.11
• IUPAC Name: N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCn1cc(C(=O)Nc2cc(F)c(Oc3ccnc4ccc5c(c34)OCCO5)cc2Cl)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H21ClF2N4O6/c1-2-36-15-18(29(39)37(30(36)40)17-5-3-16(32)4-6-17)28(38)35-22-14-20(33)25(13-19(22)31)43-23-9-10-34-21-7-8-24-27(26(21)23)42-12-11-41-24/h3-10,13-15H,2,11-12H2,1H3,(H,35,38)
• InChIKey: KZCLTCGSEQPFOJ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 113.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.97
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 156759340) is N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-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]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(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]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is KZCLTCGSEQPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClF2N4O6/c1-2-36-15-18(29(39)37(30(36)40)17-5-3-16(32)4-6-17)28(38)35-22-14-20(33)25(13-19(22)31)43-23-9-10-34-21-7-8-24-27(26(21)23)42-12-11-41-24/h3-10,13-15H,2,11-12H2,1H3,(H,35,38).

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

N-[2-chloro-4-(2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yloxy)-5-fluorophenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 606.97 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 156759340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).