6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid

C16H11ClN2O2 — CID 4261333

IUPAC6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)cc2c(C(=O)O)cc(-c3ccccn3)nc12
InChIInChI=1S/C16H11ClN2O2/c1-9-6-10(17)7-11-12(16(20)21)8-14(19-15(9)11)13-4-2-3-5-18-13/h2-8H,1H3,(H,20,21)
InChIKeyZUQCHWHUVMLFRQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.96
Rot. Bonds2

About 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid

6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 4261333) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID4261333
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(Cl)cc2c(C(=O)O)cc(-c3ccccn3)nc12
InChIInChI=1S/C16H11ClN2O2/c1-9-6-10(17)7-11-12(16(20)21)8-14(19-15(9)11)13-4-2-3-5-18-13/h2-8H,1H3,(H,20,21)
InChIKeyZUQCHWHUVMLFRQ-UHFFFAOYSA-N
XLogP3.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1257141
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220543
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
potassium 7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylate
CID 23696874
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
7-pyridin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 17486419
6-chloro-2-(4,5-dihydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 145293220
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 4261333) is 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid is Cc1cc(Cl)cc2c(C(=O)O)cc(-c3ccccn3)nc12.
What is the InChIKey of 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is ZUQCHWHUVMLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-9-6-10(17)7-11-12(16(20)21)8-14(19-15(9)11)13-4-2-3-5-18-13/h2-8H,1H3,(H,20,21).
What are the key properties of 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 4261333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).