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

C10H7NO4 — CID 54726414

IUPAC8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1cc(O)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C10H7NO4/c12-7-3-10(13)11-6-2-9-8(1-5(6)7)14-4-15-9/h1-3H,4H2,(H2,11,12,13)
InChIKeyNEDKEOGANUFWAA-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.96
Rot. Bonds

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

8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 54726414) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID54726414
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1cc(O)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C10H7NO4/c12-7-3-10(13)11-6-2-9-8(1-5(6)7)14-4-15-9/h1-3H,4H2,(H2,11,12,13)
InChIKeyNEDKEOGANUFWAA-UHFFFAOYSA-N
XLogP0.96
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 71770295
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 25152156
5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone
CID 11494023
7-amino-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 53367116
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 22480986
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
3-hydroxy-4-[6-(4-methylphenyl)-5H-[1,3]dioxolo[4,5-f]indol-7-yl]-2H-furan-5-one
CID 141458754
2,3-dihydroxy-12H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
CID 132988261
4-hydroxy-1,7,8,9-tetrahydrocyclopenta[h][1]benzazepine-2,5-dione
CID 54734935

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 54726414) is 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1cc(O)c2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is NEDKEOGANUFWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-3-10(13)11-6-2-9-8(1-5(6)7)14-4-15-9/h1-3H,4H2,(H2,11,12,13).
What are the key properties of 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 205.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 54726414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).