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

C19H18ClNO3 — CID 170330696

IUPAC3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(-c2cc(CCC(=O)O)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H17NO3.ClH/c1-23-15-9-6-13(7-10-15)18-12-14(8-11-19(21)22)16-4-2-3-5-17(16)20-18;/h2-7,9-10,12H,8,11H2,1H3,(H,21,22);1H
InChIKeyXUPMQGKSCUFAFC-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.35
Rot. Bonds5

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

3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride (PubChem CID 170330696) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
PubChem CID170330696
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
SMILESCOc1ccc(-c2cc(CCC(=O)O)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H17NO3.ClH/c1-23-15-9-6-13(7-10-15)18-12-14(8-11-19(21)22)16-4-2-3-5-17(16)20-18;/h2-7,9-10,12H,8,11H2,1H3,(H,21,22);1H
InChIKeyXUPMQGKSCUFAFC-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(trifluoromethoxy)phenyl]quinolin-4-yl]propanoic acid
CID 170330476
3-[2-(3-chlorophenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330550
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
CID 170330558
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride (CID 170330696) is 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride is COc1ccc(-c2cc(CCC(=O)O)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride?
The InChIKey is XUPMQGKSCUFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3.ClH/c1-23-15-9-6-13(7-10-15)18-12-14(8-11-19(21)22)16-4-2-3-5-17(16)20-18;/h2-7,9-10,12H,8,11H2,1H3,(H,21,22);1H.
What are the key properties of 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride?
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 170330696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).