ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride

C20H21ClN2O3 — CID 2790780

IUPACethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(O)c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-4-25-20(24)17-11-21-18-13(3)8-12(2)9-16(18)19(17)22-14-6-5-7-15(23)10-14;/h5-11,23H,4H2,1-3H3,(H,21,22);1H
InChIKeyJSPREGSRLBWLQL-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.90
Rot. Bonds4

About ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride

ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride (PubChem CID 2790780) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
PubChem CID2790780
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Nameethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(O)c1.Cl
InChIInChI=1S/C20H20N2O3.ClH/c1-4-25-20(24)17-11-21-18-13(3)8-12(2)9-16(18)19(17)22-14-6-5-7-15(23)10-14;/h5-11,23H,4H2,1-3H3,(H,21,22);1H
InChIKeyJSPREGSRLBWLQL-UHFFFAOYSA-N
XLogP4.90
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790542
ethyl 6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylate
CID 23239653
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylquinoline-3-carboxylate
CID 1187551
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride (CID 2790780) is ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(O)c1.Cl.
What is the InChIKey of ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride?
The InChIKey is JSPREGSRLBWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c1-4-25-20(24)17-11-21-18-13(3)8-12(2)9-16(18)19(17)22-14-6-5-7-15(23)10-14;/h5-11,23H,4H2,1-3H3,(H,21,22);1H.
What are the key properties of ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride?
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2790780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).