ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride

C19H18Cl2N2O2 — CID 2919127

IUPACethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1.Cl
InChIInChI=1S/C19H17ClN2O2.ClH/c1-3-24-19(23)13-4-9-17-16(11-13)18(10-12(2)21-17)22-15-7-5-14(20)6-8-15;/h4-11H,3H2,1-2H3,(H,21,22);1H
InChIKeyAKXJJSWTTUUEOB-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.54
Rot. Bonds4

About ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride

ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride (PubChem CID 2919127) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
PubChem CID2919127
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Nameethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1.Cl
InChIInChI=1S/C19H17ClN2O2.ClH/c1-3-24-19(23)13-4-9-17-16(11-13)18(10-12(2)21-17)22-15-7-5-14(20)6-8-15;/h4-11H,3H2,1-2H3,(H,21,22);1H
InChIKeyAKXJJSWTTUUEOB-UHFFFAOYSA-N
XLogP5.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2791223
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride (CID 2919127) is ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride is CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1.Cl.
What is the InChIKey of ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The InChIKey is AKXJJSWTTUUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2.ClH/c1-3-24-19(23)13-4-9-17-16(11-13)18(10-12(2)21-17)22-15-7-5-14(20)6-8-15;/h4-11H,3H2,1-2H3,(H,21,22);1H.
What are the key properties of ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride has a molecular weight of 377.27 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride is sourced from PubChem (CID 2919127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).