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

C17H14BrNO4 — CID 2973010

IUPAC8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(Br)cc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H14BrNO4/c1-21-14-3-2-9(18)4-12(14)10-6-17(20)19-13-7-16-15(5-11(10)13)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20)
InChIKeyHBLKACJCVGJYOZ-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.66
Rot. Bonds2

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

8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 2973010) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID2973010
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1ccc(Br)cc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C17H14BrNO4/c1-21-14-3-2-9(18)4-12(14)10-6-17(20)19-13-7-16-15(5-11(10)13)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20)
InChIKeyHBLKACJCVGJYOZ-UHFFFAOYSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 2973010) is 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1ccc(Br)cc1C1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is HBLKACJCVGJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-21-14-3-2-9(18)4-12(14)10-6-17(20)19-13-7-16-15(5-11(10)13)22-8-23-16/h2-5,7,10H,6,8H2,1H3,(H,19,20).
What are the key properties of 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 376.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 2973010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).