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

C20H21NO4 — CID 17060554

IUPAC8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCC(C)Oc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C20H21NO4/c1-3-12(2)25-14-6-4-13(5-7-14)15-9-20(22)21-17-10-19-18(8-16(15)17)23-11-24-19/h4-8,10,12,15H,3,9,11H2,1-2H3,(H,21,22)
InChIKeyFUKKJPDJIVPUIP-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.07
Rot. Bonds4

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

8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 17060554) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID17060554
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCC(C)Oc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C20H21NO4/c1-3-12(2)25-14-6-4-13(5-7-14)15-9-20(22)21-17-10-19-18(8-16(15)17)23-11-24-19/h4-8,10,12,15H,3,9,11H2,1-2H3,(H,21,22)
InChIKeyFUKKJPDJIVPUIP-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 17060554) is 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CCC(C)Oc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is FUKKJPDJIVPUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-12(2)25-14-6-4-13(5-7-14)15-9-20(22)21-17-10-19-18(8-16(15)17)23-11-24-19/h4-8,10,12,15H,3,9,11H2,1-2H3,(H,21,22).
What are the key properties of 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 339.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 17060554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).