8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C17H15NO3 — CID 2964928

IUPAC8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H15NO3/c1-10-4-2-3-5-11(10)12-7-17(19)18-14-8-16-15(6-13(12)14)20-9-21-16/h2-6,8,12H,7,9H2,1H3,(H,18,19)
InChIKeyTUGHOVUOMJMBCF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.20
Rot. Bonds1

About 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 2964928) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID2964928
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H15NO3/c1-10-4-2-3-5-11(10)12-7-17(19)18-14-8-16-15(6-13(12)14)20-9-21-16/h2-6,8,12H,7,9H2,1H3,(H,18,19)
InChIKeyTUGHOVUOMJMBCF-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 2964928) is 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is Cc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is TUGHOVUOMJMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-4-2-3-5-11(10)12-7-17(19)18-14-8-16-15(6-13(12)14)20-9-21-16/h2-6,8,12H,7,9H2,1H3,(H,18,19).
What are the key properties of 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 281.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 2964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).