4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride

C18H16ClNO2 — CID 157400114

IUPAC4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H15NO2.ClH/c20-18(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)19-17;/h1-9,12H,10-11H2,(H,20,21);1H
InChIKeyAAKDNWLUVNASFX-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.14
Rot. Bonds4

About 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride

4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride (PubChem CID 157400114) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
PubChem CID157400114
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H15NO2.ClH/c20-18(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)19-17;/h1-9,12H,10-11H2,(H,20,21);1H
InChIKeyAAKDNWLUVNASFX-UHFFFAOYSA-N
XLogP4.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride (CID 157400114) is 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(CCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride?
The InChIKey is AAKDNWLUVNASFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2.ClH/c20-18(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)19-17;/h1-9,12H,10-11H2,(H,20,21);1H.
What are the key properties of 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride?
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 157400114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).