4-chloro-8-methylquinoline-2,3-dicarboxylic acid

C12H8ClNO4 — CID 141332367

IUPAC4-chloro-8-methylquinoline-2,3-dicarboxylic acid
SMILESCc1cccc2c(Cl)c(C(=O)O)c(C(=O)O)nc12
InChIInChI=1S/C12H8ClNO4/c1-5-3-2-4-6-8(13)7(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyRLXIWWRATBDIEE-UHFFFAOYSA-N
MW265.65 g/mol
LogP2.59
Rot. Bonds2

About 4-chloro-8-methylquinoline-2,3-dicarboxylic acid

4-chloro-8-methylquinoline-2,3-dicarboxylic acid (PubChem CID 141332367) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 4-chloro-8-methylquinoline-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4-chloro-8-methylquinoline-2,3-dicarboxylic acid
PubChem CID141332367
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name4-chloro-8-methylquinoline-2,3-dicarboxylic acid
SMILESCc1cccc2c(Cl)c(C(=O)O)c(C(=O)O)nc12
InChIInChI=1S/C12H8ClNO4/c1-5-3-2-4-6-8(13)7(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18)
InChIKeyRLXIWWRATBDIEE-UHFFFAOYSA-N
XLogP2.59
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methylquinazoline-4-carboxylic acid
CID 124706584
4,5-dimethylacridine-9-carboxylate
CID 7095758
2-(4-chloro-8-methylquinolin-3-yl)acetic acid
CID 84699093
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
4-chloro-8-methylquinazolin-2-amine
CID 10035504
3,5-dimethylisoquinoline-1-carboxylic acid
CID 84670077
5,8-dimethylquinoline-2,3-dicarboxylic acid
CID 17039937
1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 106662876
4-chlorothieno[3,4-b]pyridine-2,3-dicarboxylic acid
CID 2777648
4-chloro-2,8-dimethylquinazoline
CID 71721381
2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
CID 15749820
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methylquinoline-2,3-dicarboxylic acid?
The IUPAC name of 4-chloro-8-methylquinoline-2,3-dicarboxylic acid (CID 141332367) is 4-chloro-8-methylquinoline-2,3-dicarboxylic acid.
What is the SMILES notation for 4-chloro-8-methylquinoline-2,3-dicarboxylic acid?
The canonical SMILES for 4-chloro-8-methylquinoline-2,3-dicarboxylic acid is Cc1cccc2c(Cl)c(C(=O)O)c(C(=O)O)nc12.
What is the InChIKey of 4-chloro-8-methylquinoline-2,3-dicarboxylic acid?
The InChIKey is RLXIWWRATBDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c1-5-3-2-4-6-8(13)7(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-8-methylquinoline-2,3-dicarboxylic acid?
4-chloro-8-methylquinoline-2,3-dicarboxylic acid has a molecular weight of 265.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methylquinoline-2,3-dicarboxylic acid is sourced from PubChem (CID 141332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).