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

C26H20FNO4 — CID 2134968

IUPAC6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-6-8-17(9-7-16)25(29)20-15-28(14-18-4-2-3-5-21(18)27)22-13-24-23(31-10-11-32-24)12-19(22)26(20)30/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyFKDIQOCVXJQAOM-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.50
Rot. Bonds4

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

6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2134968) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2134968
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-6-8-17(9-7-16)25(29)20-15-28(14-18-4-2-3-5-21(18)27)22-13-24-23(31-10-11-32-24)12-19(22)26(20)30/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyFKDIQOCVXJQAOM-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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2134968) is 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is FKDIQOCVXJQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c1-16-6-8-17(9-7-16)25(29)20-15-28(14-18-4-2-3-5-21(18)27)22-13-24-23(31-10-11-32-24)12-19(22)26(20)30/h2-9,12-13,15H,10-11,14H2,1H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
6-[(2-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-[(2-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).