8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C17H11NO5 — CID 22480986

IUPAC8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyDUWJCRXZTYPMPG-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.62
Rot. Bonds2

About 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 22480986) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID22480986
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3
InChIInChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyDUWJCRXZTYPMPG-UHFFFAOYSA-N
XLogP2.62
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 10714849
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
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
ethyl 2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71457002
8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 54726414
8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 71770295
6-phenyl-5H-[1,3]dioxolo[4,5-f]indole
CID 4067102
2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one
CID 14385989
5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 91555555
2-(1,3-benzodioxol-5-yl)-1H-imidazole-4,5-dicarboxylic acid
CID 102108395
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777

Frequently Asked Questions

What is the IUPAC name of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 22480986) is 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is O=C(O)c1c(-c2ccccc2)[nH]c2cc3c(cc2c1=O)OCO3.
What is the InChIKey of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is DUWJCRXZTYPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-16-10-6-12-13(23-8-22-12)7-11(10)18-15(14(16)17(20)21)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 22480986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).