6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

C17H13NO5 — CID 56645737

IUPAC6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1cc(O)cc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C17H13NO5/c1-21-11-3-9(2-10(19)4-11)13-6-15(20)12-5-16-17(23-8-22-16)7-14(12)18-13/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyMHTATBQNQJVCME-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.64
Rot. Bonds2

About 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 56645737) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID56645737
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESCOc1cc(O)cc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1
InChIInChI=1S/C17H13NO5/c1-21-11-3-9(2-10(19)4-11)13-6-15(20)12-5-16-17(23-8-22-16)7-14(12)18-13/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyMHTATBQNQJVCME-UHFFFAOYSA-N
XLogP2.64
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Arborinine
CID 5281832
9-(3,4,5-trimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3745250
8-(4-hydroxy-3,5-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2997123
6-(2-Fluorophenyl)-1,3-dioxolo(4,5-g)quinolin-8(5H)-one
CID 375860
11-Methoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one
CID 348484
2-(1,3-Benzodioxol-5-yl)quinolin-4(1H)-one
CID 10901503
Avenanthramide 2
CID 101228785
Marshdine
CID 131753041
Xanthoxoline
CID 5376586
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
6-{[(6-Acetyl-1,3-benzodioxol-5-yl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 601673
6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 372269

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 56645737) is 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is COc1cc(O)cc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1.
What is the InChIKey of 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is MHTATBQNQJVCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-21-11-3-9(2-10(19)4-11)13-6-15(20)12-5-16-17(23-8-22-16)7-14(12)18-13/h2-7,19H,8H2,1H3,(H,18,20).
What are the key properties of 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 311.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-5-methoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 56645737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).