2-ethenylquinoline-3-carboxylic acid

C12H9NO2 — CID 70491701

IUPAC2-ethenylquinoline-3-carboxylic acid
SMILESC=Cc1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C12H9NO2/c1-2-10-9(12(14)15)7-8-5-3-4-6-11(8)13-10/h2-7H,1H2,(H,14,15)
InChIKeyZCCAEGQMPAJJNU-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.58
Rot. Bonds2

About 2-ethenylquinoline-3-carboxylic acid

2-ethenylquinoline-3-carboxylic acid (PubChem CID 70491701) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-ethenylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-ethenylquinoline-3-carboxylic acid
PubChem CID70491701
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-ethenylquinoline-3-carboxylic acid
SMILESC=Cc1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C12H9NO2/c1-2-10-9(12(14)15)7-8-5-3-4-6-11(8)13-10/h2-7H,1H2,(H,14,15)
InChIKeyZCCAEGQMPAJJNU-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylquinoline-3-carboxylic acid?
The IUPAC name of 2-ethenylquinoline-3-carboxylic acid (CID 70491701) is 2-ethenylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-ethenylquinoline-3-carboxylic acid?
The canonical SMILES for 2-ethenylquinoline-3-carboxylic acid is C=Cc1nc2ccccc2cc1C(=O)O.
What is the InChIKey of 2-ethenylquinoline-3-carboxylic acid?
The InChIKey is ZCCAEGQMPAJJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-10-9(12(14)15)7-8-5-3-4-6-11(8)13-10/h2-7H,1H2,(H,14,15).
What are the key properties of 2-ethenylquinoline-3-carboxylic acid?
2-ethenylquinoline-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylquinoline-3-carboxylic acid is sourced from PubChem (CID 70491701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).