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

C20H21NO4 — CID 40645352

IUPAC(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)COc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C20H21NO4/c1-12(2)10-23-17-6-4-3-5-13(17)14-8-20(22)21-16-9-19-18(7-15(14)16)24-11-25-19/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyMYSJOOVFZUUCAB-AWEZNQCLSA-N
MW339.39 g/mol
LogP3.92
Rot. Bonds4

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

(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 40645352) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID40645352
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)COc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C20H21NO4/c1-12(2)10-23-17-6-4-3-5-13(17)14-8-20(22)21-16-9-19-18(7-15(14)16)24-11-25-19/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyMYSJOOVFZUUCAB-AWEZNQCLSA-N
XLogP3.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 40645352) is (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CC(C)COc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is MYSJOOVFZUUCAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12(2)10-23-17-6-4-3-5-13(17)14-8-20(22)21-16-9-19-18(7-15(14)16)24-11-25-19/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 339.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 40645352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).