8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

C27H22FNO6 — CID 2137053

IUPAC8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC
InChIInChI=1S/C27H22FNO6/c1-32-22-7-6-17(11-23(22)33-2)26(30)20-15-29(14-16-4-3-5-18(28)10-16)21-13-25-24(34-8-9-35-25)12-19(21)27(20)31/h3-7,10-13,15H,8-9,14H2,1-2H3
InChIKeyKTXNUMFKFWDEOR-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.21
Rot. Bonds6

About 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2137053) has the molecular formula C27H22FNO6 and a molecular weight of 475.47 g/mol. Its IUPAC name is 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2137053
Molecular FormulaC27H22FNO6
Molecular Weight475.47 g/mol
Exact Mass475.14
IUPAC Name8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC
InChIInChI=1S/C27H22FNO6/c1-32-22-7-6-17(11-23(22)33-2)26(30)20-15-29(14-16-4-3-5-18(28)10-16)21-13-25-24(34-8-9-35-25)12-19(21)27(20)31/h3-7,10-13,15H,8-9,14H2,1-2H3
InChIKeyKTXNUMFKFWDEOR-UHFFFAOYSA-N
XLogP4.21
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one with MolForge

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Related Compounds

6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
14-(3,4-dimethoxyphenyl)-17-[(3-fluorophenyl)methyl]-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11,13,15-hexaene
CID 2137209
3-(4-ethylbenzoyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2136854
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136321
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2137053) is 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is KTXNUMFKFWDEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO6/c1-32-22-7-6-17(11-23(22)33-2)26(30)20-15-29(14-16-4-3-5-18(28)10-16)21-13-25-24(34-8-9-35-25)12-19(21)27(20)31/h3-7,10-13,15H,8-9,14H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 475.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2137053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).