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

C26H20FNO4 — CID 20864571

IUPAC6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-5-7-18(8-6-16)25(29)21-15-28(14-17-3-2-4-19(27)11-17)22-13-24-23(31-9-10-32-24)12-20(22)26(21)30/h2-8,11-13,15H,9-10,14H2,1H3
InChIKeyAKERNTGBCRZXEZ-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.50
Rot. Bonds4

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

6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 20864571) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID20864571
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-5-7-18(8-6-16)25(29)21-15-28(14-17-3-2-4-19(27)11-17)22-13-24-23(31-9-10-32-24)12-20(22)26(21)30/h2-8,11-13,15H,9-10,14H2,1H3
InChIKeyAKERNTGBCRZXEZ-UHFFFAOYSA-N
XLogP4.50
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-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
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-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864589
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933
2-[8-(4-fluorobenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136321
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 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 20864571) is 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is AKERNTGBCRZXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c1-16-5-7-18(8-6-16)25(29)21-15-28(14-17-3-2-4-19(27)11-17)22-13-24-23(31-9-10-32-24)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-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 429.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 20864571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).