2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid

C15H16ClNO2 — CID 84642426

IUPAC2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C15H16ClNO2/c1-8-7-12(15(3,4)14(18)19)17-13-9(2)11(16)6-5-10(8)13/h5-7H,1-4H3,(H,18,19)
InChIKeyQRZAAUQZUSHNLW-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.87
Rot. Bonds2

About 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid

2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 84642426) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
PubChem CID84642426
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C15H16ClNO2/c1-8-7-12(15(3,4)14(18)19)17-13-9(2)11(16)6-5-10(8)13/h5-7H,1-4H3,(H,18,19)
InChIKeyQRZAAUQZUSHNLW-UHFFFAOYSA-N
XLogP3.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84630830
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
CID 84641441
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
CID 43860369
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
CID 84636605
7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84639663
(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
CID 75485966
4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid (CID 84642426) is 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid is Cc1cc(C(C)(C)C(=O)O)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is QRZAAUQZUSHNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-8-7-12(15(3,4)14(18)19)17-13-9(2)11(16)6-5-10(8)13/h5-7H,1-4H3,(H,18,19).
What are the key properties of 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid?
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid has a molecular weight of 277.75 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84642426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).