4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride

C17H14Cl2N2O3 — CID 18590638

IUPAC4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2ncc(C(=O)O)c(Nc3ccccc3Cl)c2c1.Cl
InChIInChI=1S/C17H13ClN2O3.ClH/c1-23-10-6-7-14-11(8-10)16(12(9-19-14)17(21)22)20-15-5-3-2-4-13(15)18;/h2-9H,1H3,(H,19,20)(H,21,22);1H
InChIKeyWTTKOXSXWIVHFW-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.76
Rot. Bonds4

About 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride

4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride (PubChem CID 18590638) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
PubChem CID18590638
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
SMILESCOc1ccc2ncc(C(=O)O)c(Nc3ccccc3Cl)c2c1.Cl
InChIInChI=1S/C17H13ClN2O3.ClH/c1-23-10-6-7-14-11(8-10)16(12(9-19-14)17(21)22)20-15-5-3-2-4-13(15)18;/h2-9H,1H3,(H,19,20)(H,21,22);1H
InChIKeyWTTKOXSXWIVHFW-UHFFFAOYSA-N
XLogP4.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 4053129
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 159082888
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170262
4-(2-carboxyanilino)-6-(1H-indol-5-yloxy)quinoline-3-carboxylic acid
CID 155245846
3-[(3-ethoxycarbonyl-6-methoxyquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790549
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(3-carboxylatoanilino)-6-methoxyquinoline-3-carboxylate
CID 7137761
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
ethyl 6-ethoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 1187166

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride (CID 18590638) is 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride is COc1ccc2ncc(C(=O)O)c(Nc3ccccc3Cl)c2c1.Cl.
What is the InChIKey of 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is WTTKOXSXWIVHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3.ClH/c1-23-10-6-7-14-11(8-10)16(12(9-19-14)17(21)22)20-15-5-3-2-4-13(15)18;/h2-9H,1H3,(H,19,20)(H,21,22);1H.
What are the key properties of 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride?
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 365.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 18590638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).