3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride

C17H14ClNO2 — CID 140991456

IUPAC3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.Cl
InChIInChI=1S/C17H13NO2.ClH/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;/h2-10H,1H3,(H,19,20);1H
InChIKeyNOWAIJMFUHDIGJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.33
Rot. Bonds2

About 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride

3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride (PubChem CID 140991456) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
PubChem CID140991456
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.Cl
InChIInChI=1S/C17H13NO2.ClH/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;/h2-10H,1H3,(H,19,20);1H
InChIKeyNOWAIJMFUHDIGJ-UHFFFAOYSA-N
XLogP4.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
3-methyl-2-phenylquinoline-4-carbonyl azide
CID 139234731
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
CID 174865670
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride (CID 140991456) is 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.Cl.
What is the InChIKey of 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride?
The InChIKey is NOWAIJMFUHDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.ClH/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;/h2-10H,1H3,(H,19,20);1H.
What are the key properties of 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride?
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140991456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).