6-chloro-2,4-dimethylquinoline-8-carboxylic acid

C12H10ClNO2 — CID 82574745

IUPAC6-chloro-2,4-dimethylquinoline-8-carboxylic acid
SMILESCc1cc(C)c2cc(Cl)cc(C(=O)O)c2n1
InChIInChI=1S/C12H10ClNO2/c1-6-3-7(2)14-11-9(6)4-8(13)5-10(11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyYDNLNWGUSNEEPY-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.20
Rot. Bonds1

About 6-chloro-2,4-dimethylquinoline-8-carboxylic acid

6-chloro-2,4-dimethylquinoline-8-carboxylic acid (PubChem CID 82574745) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 6-chloro-2,4-dimethylquinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2,4-dimethylquinoline-8-carboxylic acid
PubChem CID82574745
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name6-chloro-2,4-dimethylquinoline-8-carboxylic acid
SMILESCc1cc(C)c2cc(Cl)cc(C(=O)O)c2n1
InChIInChI=1S/C12H10ClNO2/c1-6-3-7(2)14-11-9(6)4-8(13)5-10(11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyYDNLNWGUSNEEPY-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2,4-dimethylquinoline-8-carbothioamide
CID 82574189
6-chloro-8-hydroxy-2-methylquinoline-4-carboxylic acid
CID 154201700
4-chloro-2,6-dimethylquinoline-8-carboxylic acid
CID 82574820
8-bromo-6-chloro-2,4-dimethylquinoline
CID 82580896
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
methyl 6,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574672
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
5,6,8-trichloro-2-methylquinoline-4-carboxylic acid
CID 82574812
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
6-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 5024097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethylquinoline-8-carboxylic acid?
The IUPAC name of 6-chloro-2,4-dimethylquinoline-8-carboxylic acid (CID 82574745) is 6-chloro-2,4-dimethylquinoline-8-carboxylic acid.
What is the SMILES notation for 6-chloro-2,4-dimethylquinoline-8-carboxylic acid?
The canonical SMILES for 6-chloro-2,4-dimethylquinoline-8-carboxylic acid is Cc1cc(C)c2cc(Cl)cc(C(=O)O)c2n1.
What is the InChIKey of 6-chloro-2,4-dimethylquinoline-8-carboxylic acid?
The InChIKey is YDNLNWGUSNEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-6-3-7(2)14-11-9(6)4-8(13)5-10(11)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-chloro-2,4-dimethylquinoline-8-carboxylic acid?
6-chloro-2,4-dimethylquinoline-8-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-dimethylquinoline-8-carboxylic acid is sourced from PubChem (CID 82574745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).