1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

C12H10N2O5 — CID 2762

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IUPAC1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyVDUWPHTZYNWKRN-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.84
Rot. Bonds2

About 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid (PubChem CID 2762) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
PubChem CID2762
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyVDUWPHTZYNWKRN-UHFFFAOYSA-N
XLogP0.84
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid with MolForge

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Related Compounds

Oxolinic Acid
CID 4628
Miloxacin
CID 37614
Ethyl 5-Ethyl-8-oxo-5,8-dihydro-1,3-dioxolo[4,5-g]quinoline-7-carboxylate (Oxolinic Acid Ethyl Ester)
CID 3504015
6,7-(Methylenedioxy)-1-octyl-4-quinolone-3-carboxylic acid
CID 142567545
5-Hexyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 154266934
1,3-Dioxolo(4,5-g)quinoline-7-carboxylic acid, 5,8-dihydro-9-amino-5-ethyl-8-oxo-
CID 3040066
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 8022634
5-Heptyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 168275505
5-ethyl-N-(3-((3-hydroxypropyl)amino)-3-oxopropyl)-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
CID 8073623
5-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-5-oxopentanoic acid
CID 842004
5-Ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 3834158
Ethyl 8-hydroxy-(1,3)dioxolo(4,5-g)quinoline-7-carboxylate
CID 84257

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid (CID 2762) is 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid is CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid?
The InChIKey is VDUWPHTZYNWKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid?
1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid is sourced from PubChem (CID 2762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).