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

C26H20FNO4 — CID 15945551

IUPAC8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-2-4-17(5-3-16)14-28-15-21(25(29)18-6-8-19(27)9-7-18)26(30)20-12-23-24(13-22(20)28)32-11-10-31-23/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyAHVFQWPVTBXEJE-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.50
Rot. Bonds4

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

8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 15945551) has the molecular formula C26H20FNO4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID15945551
Molecular FormulaC26H20FNO4
Molecular Weight429.45 g/mol
Exact Mass429.14
IUPAC Name8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C26H20FNO4/c1-16-2-4-17(5-3-16)14-28-15-21(25(29)18-6-8-19(27)9-7-18)26(30)20-12-23-24(13-22(20)28)32-11-10-31-23/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyAHVFQWPVTBXEJE-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 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 15945551) is 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is AHVFQWPVTBXEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO4/c1-16-2-4-17(5-3-16)14-28-15-21(25(29)18-6-8-19(27)9-7-18)26(30)20-12-23-24(13-22(20)28)32-11-10-31-23/h2-9,12-13,15H,10-11,14H2,1H3.
What are the key properties of 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-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 8-(4-fluorobenzoyl)-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 15945551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).