7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

C18H14ClNO2 — CID 91527839

IUPAC7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(C)cc(Cl)cc3n2)cc1
InChIInChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)15-9-14(18(21)22)17-11(2)7-13(19)8-16(17)20-15/h3-9H,1-2H3,(H,21,22)
InChIKeyNUIPPOAXOIUJCA-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.87
Rot. Bonds2

About 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 91527839) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID91527839
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3c(C)cc(Cl)cc3n2)cc1
InChIInChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)15-9-14(18(21)22)17-11(2)7-13(19)8-16(17)20-15/h3-9H,1-2H3,(H,21,22)
InChIKeyNUIPPOAXOIUJCA-UHFFFAOYSA-N
XLogP4.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 91527839) is 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3c(C)cc(Cl)cc3n2)cc1.
What is the InChIKey of 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is NUIPPOAXOIUJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-10-3-5-12(6-4-10)15-9-14(18(21)22)17-11(2)7-13(19)8-16(17)20-15/h3-9H,1-2H3,(H,21,22).
What are the key properties of 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 91527839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).