3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride

C18H15Cl2NO2 — CID 170330550

IUPAC3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H14ClNO2.ClH/c19-14-5-3-4-13(10-14)17-11-12(8-9-18(21)22)15-6-1-2-7-16(15)20-17;/h1-7,10-11H,8-9H2,(H,21,22);1H
InChIKeyGRMUUYPEYQXMCM-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.99
Rot. Bonds4

About 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride

3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride (PubChem CID 170330550) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
PubChem CID170330550
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H14ClNO2.ClH/c19-14-5-3-4-13(10-14)17-11-12(8-9-18(21)22)15-6-1-2-7-16(15)20-17;/h1-7,10-11H,8-9H2,(H,21,22);1H
InChIKeyGRMUUYPEYQXMCM-UHFFFAOYSA-N
XLogP4.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
CID 170330476
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
6-[6-(3-chlorophenyl)-2-pyridinyl]phenanthridine
CID 171832740
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
2-(2-phenylquinolin-4-yl)sulfanylacetic acid;hydrochloride
CID 53423158
3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423718
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
(4-chlorophenyl)methanamine;2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 19715573

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride (CID 170330550) is 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCc1cc(-c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The InChIKey is GRMUUYPEYQXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2.ClH/c19-14-5-3-4-13(10-14)17-11-12(8-9-18(21)22)15-6-1-2-7-16(15)20-17;/h1-7,10-11H,8-9H2,(H,21,22);1H.
What are the key properties of 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride?
3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride has a molecular weight of 348.23 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 170330550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).