ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride

C19H19ClN2O3 — CID 2790966

IUPACethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(O)cc1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-3-24-19(23)16-11-20-17-12(2)5-4-6-15(17)18(16)21-13-7-9-14(22)10-8-13;/h4-11,22H,3H2,1-2H3,(H,20,21);1H
InChIKeyRTKCRQUIPKDDCX-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.59
Rot. Bonds4

About ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride

ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride (PubChem CID 2790966) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
PubChem CID2790966
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Nameethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(O)cc1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-3-24-19(23)16-11-20-17-12(2)5-4-6-15(17)18(16)21-13-7-9-14(22)10-8-13;/h4-11,22H,3H2,1-2H3,(H,20,21);1H
InChIKeyRTKCRQUIPKDDCX-UHFFFAOYSA-N
XLogP4.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-8-methylquinoline-3-carboxylate
CID 1187551
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
3-[(3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 2791594
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 8-[hydroxy-(4-hydroxyphenyl)methyl]-4-(2-methylanilino)quinoline-3-carboxylate
CID 139661322

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride (CID 2790966) is ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(O)cc1.Cl.
What is the InChIKey of ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride?
The InChIKey is RTKCRQUIPKDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.ClH/c1-3-24-19(23)16-11-20-17-12(2)5-4-6-15(17)18(16)21-13-7-9-14(22)10-8-13;/h4-11,22H,3H2,1-2H3,(H,20,21);1H.
What are the key properties of ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride?
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2790966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).