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

C26H20FNO5 — CID 2137172

IUPAC6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO5/c1-31-19-7-5-17(6-8-19)25(29)21-15-28(14-16-3-2-4-18(27)11-16)22-13-24-23(32-9-10-33-24)12-20(22)26(21)30/h2-8,11-13,15H,9-10,14H2,1H3
InChIKeyFHNROJFLYQPTOC-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.20
Rot. Bonds5

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

6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2137172) has the molecular formula C26H20FNO5 and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2137172
Molecular FormulaC26H20FNO5
Molecular Weight445.45 g/mol
Exact Mass445.13
IUPAC Name6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO5/c1-31-19-7-5-17(6-8-19)25(29)21-15-28(14-16-3-2-4-18(27)11-16)22-13-24-23(32-9-10-33-24)12-20(22)26(21)30/h2-8,11-13,15H,9-10,14H2,1H3
InChIKeyFHNROJFLYQPTOC-UHFFFAOYSA-N
XLogP4.20
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-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-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137053
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136321
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-fluoro-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2137960
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2137172) is 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is FHNROJFLYQPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO5/c1-31-19-7-5-17(6-8-19)25(29)21-15-28(14-16-3-2-4-18(27)11-16)22-13-24-23(32-9-10-33-24)12-20(22)26(21)30/h2-8,11-13,15H,9-10,14H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 445.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2137172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).