8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid

C12H11ClN2O3 — CID 84640245

IUPAC8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(Cl)ccc(OC)c12
InChIInChI=1S/C12H11ClN2O3/c1-14-7-5-8(12(16)17)15-11-6(13)3-4-9(18-2)10(7)11/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGXJOCZLGVHSSBG-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.64
Rot. Bonds3

About 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid

8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid (PubChem CID 84640245) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
PubChem CID84640245
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(Cl)ccc(OC)c12
InChIInChI=1S/C12H11ClN2O3/c1-14-7-5-8(12(16)17)15-11-6(13)3-4-9(18-2)10(7)11/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGXJOCZLGVHSSBG-UHFFFAOYSA-N
XLogP2.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
8-chloro-5-methoxy-N-methylquinolin-4-amine
CID 62190828
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
8-chloro-5-methoxy-N,4-dimethylquinolin-2-amine
CID 84628644
5,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320073
8-chloro-N-ethyl-5-methoxy-2-propylquinolin-4-amine
CID 55194820
4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-2,5-dicarboxylic acid
CID 139931059
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The IUPAC name of 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid (CID 84640245) is 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid is CNc1cc(C(=O)O)nc2c(Cl)ccc(OC)c12.
What is the InChIKey of 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
The InChIKey is GXJOCZLGVHSSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-14-7-5-8(12(16)17)15-11-6(13)3-4-9(18-2)10(7)11/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid?
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 84640245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).