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

C28H25NO6 — CID 2138138

IUPAC8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C28H25NO6/c1-3-33-20-10-8-18(9-11-20)27(30)22-17-29(16-19-6-4-5-7-24(19)32-2)23-15-26-25(34-12-13-35-26)14-21(23)28(22)31/h4-11,14-15,17H,3,12-13,16H2,1-2H3
InChIKeyGYKFFTZDCPYQLV-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.46
Rot. Bonds7

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

8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2138138) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2138138
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc4c(cc3c2=O)OCCO4)cc1
InChIInChI=1S/C28H25NO6/c1-3-33-20-10-8-18(9-11-20)27(30)22-17-29(16-19-6-4-5-7-24(19)32-2)23-15-26-25(34-12-13-35-26)14-21(23)28(22)31/h4-11,14-15,17H,3,12-13,16H2,1-2H3
InChIKeyGYKFFTZDCPYQLV-UHFFFAOYSA-N
XLogP4.46
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2138138) is 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3cc4c(cc3c2=O)OCCO4)cc1.
What is the InChIKey of 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is GYKFFTZDCPYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c1-3-33-20-10-8-18(9-11-20)27(30)22-17-29(16-19-6-4-5-7-24(19)32-2)23-15-26-25(34-12-13-35-26)14-21(23)28(22)31/h4-11,14-15,17H,3,12-13,16H2,1-2H3.
What are the key properties of 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 471.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethoxybenzoyl)-6-[(2-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2138138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).