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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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).