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

C27H23NO6 — CID 2137195

IUPAC8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C27H23NO6/c1-31-19-7-3-17(4-8-19)15-28-16-22(26(29)18-5-9-20(32-2)10-6-18)27(30)21-13-24-25(14-23(21)28)34-12-11-33-24/h3-10,13-14,16H,11-12,15H2,1-2H3
InChIKeyRYIQGDSBRYORPF-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.07
Rot. Bonds6

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

8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (PubChem CID 2137195) has the molecular formula C27H23NO6 and a molecular weight of 457.48 g/mol. Its IUPAC name is 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.

Molecular Properties

Compound Name8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
PubChem CID2137195
Molecular FormulaC27H23NO6
Molecular Weight457.48 g/mol
Exact Mass457.15
IUPAC Name8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C27H23NO6/c1-31-19-7-3-17(4-8-19)15-28-16-22(26(29)18-5-9-20(32-2)10-6-18)27(30)21-13-24-25(14-23(21)28)34-12-11-33-24/h3-10,13-14,16H,11-12,15H2,1-2H3
InChIKeyRYIQGDSBRYORPF-UHFFFAOYSA-N
XLogP4.07
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The IUPAC name of 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one (CID 2137195) is 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one.
What is the SMILES notation for 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The canonical SMILES for 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is COc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
The InChIKey is RYIQGDSBRYORPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO6/c1-31-19-7-3-17(4-8-19)15-28-16-22(26(29)18-5-9-20(32-2)10-6-18)27(30)21-13-24-25(14-23(21)28)34-12-11-33-24/h3-10,13-14,16H,11-12,15H2,1-2H3.
What are the key properties of 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one?
8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one has a molecular weight of 457.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxybenzoyl)-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one is sourced from PubChem (CID 2137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).