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

C17H19NO5 — CID 154266934

IUPAC5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C17H19NO5/c1-2-3-4-5-6-18-9-12(17(20)21)16(19)11-7-14-15(8-13(11)18)23-10-22-14/h7-9H,2-6,10H2,1H3,(H,20,21)
InChIKeyONMDIVWKTHYGMC-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.01
Rot. Bonds6

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

5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 154266934) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID154266934
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESCCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C17H19NO5/c1-2-3-4-5-6-18-9-12(17(20)21)16(19)11-7-14-15(8-13(11)18)23-10-22-14/h7-9H,2-6,10H2,1H3,(H,20,21)
InChIKeyONMDIVWKTHYGMC-UHFFFAOYSA-N
XLogP3.01
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cinoxacin
CID 2762
Oxolinic Acid
CID 4628
Decoquinate
CID 29112
Buquinolate
CID 21651
Miloxacin
CID 37614
Cyproquinate
CID 29636
Ethyl 5-Ethyl-8-oxo-5,8-dihydro-1,3-dioxolo[4,5-g]quinoline-7-carboxylate (Oxolinic Acid Ethyl Ester)
CID 3504015
9-hydroxy-2H,3H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
CID 2874795
Proquinolate
CID 15547
ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate;hydrochloride
CID 45488953
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 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 154266934) is 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is CCCCCCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is ONMDIVWKTHYGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-3-4-5-6-18-9-12(17(20)21)16(19)11-7-14-15(8-13(11)18)23-10-22-14/h7-9H,2-6,10H2,1H3,(H,20,21).
What are the key properties of 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 154266934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).