1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide

About 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide

1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 156759188) has the molecular formula C33H29FN4O8 and a molecular weight of 628.61 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name	1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID	156759188
Molecular Formula	C33H29FN4O8
Molecular Weight	628.61 g/mol
Exact Mass	628.20
IUPAC Name	1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide
SMILES	CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCOC)c5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
InChI	InChI=1S/C33H29FN4O8/c1-3-37-19-24(32(40)38(33(37)41)22-8-4-20(34)5-9-22)31(39)36-21-6-10-23(11-7-21)46-26-12-13-35-25-18-27(43-15-14-42-2)29-30(28(25)26)45-17-16-44-29/h4-13,18-19H,3,14-17H2,1-2H3,(H,36,39)
InChIKey	MKVJQIQYLOUSDA-UHFFFAOYSA-N
XLogP	4.55
TPSA	132.14 Å²
H-Bond Donors	1
H-Bond Acceptors	11
Rotatable Bonds	10
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.61
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide (CID 156759188) is 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCOC)c5c(c34)OCCO5)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.

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

The InChIKey is MKVJQIQYLOUSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O8/c1-3-37-19-24(32(40)38(33(37)41)22-8-4-20(34)5-9-22)31(39)36-21-6-10-23(11-7-21)46-26-12-13-35-25-18-27(43-15-14-42-2)29-30(28(25)26)45-17-16-44-29/h4-13,18-19H,3,14-17H2,1-2H3,(H,36,39).

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

1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 628.61 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(4-fluorophenyl)-N-[4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 156759188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).