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

C19H19NO4 — CID 645310

IUPAC8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H19NO4/c1-11(2)24-16-6-4-3-5-12(16)13-8-19(21)20-15-9-18-17(7-14(13)15)22-10-23-18/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,21)
InChIKeyZWIOVBNHINHJRO-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.68
Rot. Bonds3

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

8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 645310) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID645310
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H19NO4/c1-11(2)24-16-6-4-3-5-12(16)13-8-19(21)20-15-9-18-17(7-14(13)15)22-10-23-18/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,21)
InChIKeyZWIOVBNHINHJRO-UHFFFAOYSA-N
XLogP3.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 645310) is 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is ZWIOVBNHINHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11(2)24-16-6-4-3-5-12(16)13-8-19(21)20-15-9-18-17(7-14(13)15)22-10-23-18/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,21).
What are the key properties of 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 325.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 645310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).