N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C34H30F2N4O8 — CID 166717098

About N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 166717098) has the molecular formula C34H30F2N4O8 and a molecular weight of 660.63 g/mol. Its IUPAC name is N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 166717098
• Molecular Formula: C34H30F2N4O8
• Molecular Weight: 660.63 g/mol
• Exact Mass: 660.20
• IUPAC Name: N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: Cn1cc(C(=O)NC2C=CC(Oc3ccnc4cc(OC5CCOCC5)c5c(c34)OCCO5)=C(F)C2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C34H30F2N4O8/c1-39-18-23(33(42)40(34(39)43)21-5-2-19(35)3-6-21)32(41)38-20-4-7-26(24(36)16-20)48-27-8-11-37-25-17-28(47-22-9-12-44-13-10-22)30-31(29(25)27)46-15-14-45-30/h2-8,11,17-18,20,22H,9-10,12-16H2,1H3,(H,38,41)
• InChIKey: YWGKGYAHROWLSV-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 132.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.63
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 166717098) is N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)NC2C=CC(Oc3ccnc4cc(OC5CCOCC5)c5c(c34)OCCO5)=C(F)C2)c(=O)n(-c2ccc(F)cc2)c1=O.

What is the InChIKey of N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is YWGKGYAHROWLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N4O8/c1-39-18-23(33(42)40(34(39)43)21-5-2-19(35)3-6-21)32(41)38-20-4-7-26(24(36)16-20)48-27-8-11-37-25-17-28(47-22-9-12-44-13-10-22)30-31(29(25)27)46-15-14-45-30/h2-8,11,17-18,20,22H,9-10,12-16H2,1H3,(H,38,41).

What are the key properties of N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide?

N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 660.63 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-4-[[5-(oxan-4-yloxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]cyclohexa-2,4-dien-1-yl]-3-(4-fluorophenyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 166717098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).