7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

C26H20FNO5 — CID 2134969

IUPAC7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1
InChIInChI=1S/C26H20FNO5/c1-2-31-18-9-7-16(8-10-18)25(29)20-14-28(13-17-5-3-4-6-21(17)27)22-12-24-23(32-15-33-24)11-19(22)26(20)30/h3-12,14H,2,13,15H2,1H3
InChIKeyAHBXDKHGSGVZSA-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.55
Rot. Bonds6

About 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 2134969) has the molecular formula C26H20FNO5 and a molecular weight of 445.45 g/mol. Its IUPAC name is 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID2134969
Molecular FormulaC26H20FNO5
Molecular Weight445.45 g/mol
Exact Mass445.13
IUPAC Name7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1
InChIInChI=1S/C26H20FNO5/c1-2-31-18-9-7-16(8-10-18)25(29)20-14-28(13-17-5-3-4-6-21(17)27)22-12-24-23(32-15-33-24)11-19(22)26(20)30/h3-12,14H,2,13,15H2,1H3
InChIKeyAHBXDKHGSGVZSA-UHFFFAOYSA-N
XLogP4.55
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one with MolForge

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Related Compounds

7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
1-benzyl-3-(4-ethoxybenzoyl)-6,8-difluoroquinolin-4-one
CID 2134967
8-oxo-5-(2-phenoxyethyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 155609725
7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864589
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137053
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 2134969) is 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is CCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1.
What is the InChIKey of 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is AHBXDKHGSGVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO5/c1-2-31-18-9-7-16(8-10-18)25(29)20-14-28(13-17-5-3-4-6-21(17)27)22-12-24-23(32-15-33-24)11-19(22)26(20)30/h3-12,14H,2,13,15H2,1H3.
What are the key properties of 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 445.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 2134969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).