7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

C27H23NO4 — CID 20864589

IUPAC7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C27H23NO4/c1-16-4-7-19(8-5-16)13-28-14-22(26(29)20-9-6-17(2)18(3)10-20)27(30)21-11-24-25(12-23(21)28)32-15-31-24/h4-12,14H,13,15H2,1-3H3
InChIKeyPSAGMYDIJXOOCC-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.93
Rot. Bonds4

About 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one

7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 20864589) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID20864589
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C27H23NO4/c1-16-4-7-19(8-5-16)13-28-14-22(26(29)20-9-6-17(2)18(3)10-20)27(30)21-11-24-25(12-23(21)28)32-15-31-24/h4-12,14H,13,15H2,1-3H3
InChIKeyPSAGMYDIJXOOCC-UHFFFAOYSA-N
XLogP4.93
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one with MolForge

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Related Compounds

3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568
6-(cyclopropylmethyl)-8-(3,4-dimethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 16730767
6-[(3-fluorophenyl)methyl]-8-(4-methylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 20864571
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022
N-(1,3-benzodioxol-5-yl)-2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560350
8-(3,4-dimethoxybenzoyl)-6-[(3-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137053
7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 2134969
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 20864589) is 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is Cc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is PSAGMYDIJXOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-16-4-7-19(8-5-16)13-28-14-22(26(29)20-9-6-17(2)18(3)10-20)27(30)21-11-24-25(12-23(21)28)32-15-31-24/h4-12,14H,13,15H2,1-3H3.
What are the key properties of 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 425.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 20864589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).