cinnoline-3-carboxylic acid;ethane

C11H12N2O2 — CID 90831322

IUPACcinnoline-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2ccccc2nn1
InChIInChI=1S/C9H6N2O2.C2H6/c12-9(13)8-5-6-3-1-2-4-7(6)10-11-8;1-2/h1-5H,(H,12,13);1-2H3
InChIKeyOQQSPMNIQZGESC-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.35
Rot. Bonds1

About cinnoline-3-carboxylic acid;ethane

cinnoline-3-carboxylic acid;ethane (PubChem CID 90831322) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is cinnoline-3-carboxylic acid;ethane.

Molecular Properties

Compound Namecinnoline-3-carboxylic acid;ethane
PubChem CID90831322
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namecinnoline-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2ccccc2nn1
InChIInChI=1S/C9H6N2O2.C2H6/c12-9(13)8-5-6-3-1-2-4-7(6)10-11-8;1-2/h1-5H,(H,12,13);1-2H3
InChIKeyOQQSPMNIQZGESC-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
propyl cinnoline-3-carboxylate
CID 142670982
N-(2-acetamidoethyl)cinnoline-3-carboxamide
CID 110705098
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
N-(4-carbamoylphenyl)cinnoline-3-carboxamide
CID 110705141
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
1-(dimethylamino)isoquinoline-3-carboxylic acid
CID 43166521
3-cinnolin-3-ylcinnoline
CID 12908797
N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070
anthra[2,1-g]cinnoline-3,10-dicarboxylic acid
CID 87742379

Frequently Asked Questions

What is the IUPAC name of cinnoline-3-carboxylic acid;ethane?
The IUPAC name of cinnoline-3-carboxylic acid;ethane (CID 90831322) is cinnoline-3-carboxylic acid;ethane.
What is the SMILES notation for cinnoline-3-carboxylic acid;ethane?
The canonical SMILES for cinnoline-3-carboxylic acid;ethane is CC.O=C(O)c1cc2ccccc2nn1.
What is the InChIKey of cinnoline-3-carboxylic acid;ethane?
The InChIKey is OQQSPMNIQZGESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2.C2H6/c12-9(13)8-5-6-3-1-2-4-7(6)10-11-8;1-2/h1-5H,(H,12,13);1-2H3.
What are the key properties of cinnoline-3-carboxylic acid;ethane?
cinnoline-3-carboxylic acid;ethane has a molecular weight of 204.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline-3-carboxylic acid;ethane is sourced from PubChem (CID 90831322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).