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

C25H19NO5 — CID 18592568

IUPAC7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C25H19NO5/c1-29-18-9-7-16(8-10-18)13-26-14-20(24(27)17-5-3-2-4-6-17)25(28)19-11-22-23(12-21(19)26)31-15-30-22/h2-12,14H,13,15H2,1H3
InChIKeyCHISGMOZQIOITN-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.02
Rot. Bonds5

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

7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 18592568) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID18592568
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C25H19NO5/c1-29-18-9-7-16(8-10-18)13-26-14-20(24(27)17-5-3-2-4-6-17)25(28)19-11-22-23(12-21(19)26)31-15-30-22/h2-12,14H,13,15H2,1H3
InChIKeyCHISGMOZQIOITN-UHFFFAOYSA-N
XLogP4.02
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
6-[(3-fluorophenyl)methyl]-8-(4-methoxybenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2137172
7-(3,4-dimethylbenzoyl)-5-[(4-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864589
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
7-(4-ethoxybenzoyl)-5-[(2-fluorophenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 2134969
3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 70481800
2-[8-(4-methoxybenzoyl)-9-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 2136005
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
6,7-dimethoxy-3-(4-methylbenzoyl)-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2136839

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 18592568) is 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is COc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is CHISGMOZQIOITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c1-29-18-9-7-16(8-10-18)13-26-14-20(24(27)17-5-3-2-4-6-17)25(28)19-11-22-23(12-21(19)26)31-15-30-22/h2-12,14H,13,15H2,1H3.
What are the key properties of 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one?
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 413.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 18592568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).