3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate

C20H18N2O5 — CID 1191451

IUPAC3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(O)cc1
InChIInChI=1S/C20H18N2O5/c1-3-27-20(25)16-11-21-17-14(5-4-6-15(17)19(24)26-2)18(16)22-12-7-9-13(23)10-8-12/h4-11,23H,3H2,1-2H3,(H,21,22)
InChIKeyDMQIHWYJRKKAIM-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.65
Rot. Bonds5

About 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate

3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate (PubChem CID 1191451) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
PubChem CID1191451
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(O)cc1
InChIInChI=1S/C20H18N2O5/c1-3-27-20(25)16-11-21-17-14(5-4-6-15(17)19(24)26-2)18(16)22-12-7-9-13(23)10-8-12/h4-11,23H,3H2,1-2H3,(H,21,22)
InChIKeyDMQIHWYJRKKAIM-UHFFFAOYSA-N
XLogP3.65
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
3-O-ethyl 8-O-methyl 4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3,8-dicarboxylate
CID 23904512
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate?
The IUPAC name of 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate (CID 1191451) is 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate?
The canonical SMILES for 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(O)cc1.
What is the InChIKey of 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate?
The InChIKey is DMQIHWYJRKKAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-27-20(25)16-11-21-17-14(5-4-6-15(17)19(24)26-2)18(16)22-12-7-9-13(23)10-8-12/h4-11,23H,3H2,1-2H3,(H,21,22).
What are the key properties of 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate?
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate is sourced from PubChem (CID 1191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).