2-cyclopropylquinoline-6-carboxylic acid;hydrochloride

C13H12ClNO2 — CID 86664097

IUPAC2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2nc(C3CC3)ccc2c1
InChIInChI=1S/C13H11NO2.ClH/c15-13(16)10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8;/h3-8H,1-2H2,(H,15,16);1H
InChIKeyFNIMHMIXGPUHCU-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.23
Rot. Bonds2

About 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride

2-cyclopropylquinoline-6-carboxylic acid;hydrochloride (PubChem CID 86664097) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
PubChem CID86664097
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2nc(C3CC3)ccc2c1
InChIInChI=1S/C13H11NO2.ClH/c15-13(16)10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8;/h3-8H,1-2H2,(H,15,16);1H
InChIKeyFNIMHMIXGPUHCU-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride (CID 86664097) is 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2nc(C3CC3)ccc2c1.
What is the InChIKey of 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is FNIMHMIXGPUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.ClH/c15-13(16)10-4-6-12-9(7-10)3-5-11(14-12)8-1-2-8;/h3-8H,1-2H2,(H,15,16);1H.
What are the key properties of 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride?
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 86664097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).