ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate

C19H18N2O3 — CID 58170411

IUPACethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nccc(Nc3cc(O)ccc3C)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)13-5-7-16-15(10-13)17(8-9-20-16)21-18-11-14(22)6-4-12(18)2/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyUGALTLOXMJBJDM-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.17
Rot. Bonds4

About ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate

ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate (PubChem CID 58170411) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
PubChem CID58170411
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nccc(Nc3cc(O)ccc3C)c2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)13-5-7-16-15(10-13)17(8-9-20-16)21-18-11-14(22)6-4-12(18)2/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyUGALTLOXMJBJDM-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethanol;ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate;4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylic acid
CID 162050100
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
CID 54672856
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 4-(4-hydroxyanilino)-2-methylquinolin-1-ium-6-carboxylate chloride
CID 44660205
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate?
The IUPAC name of ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate (CID 58170411) is ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate?
The canonical SMILES for ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate is CCOC(=O)c1ccc2nccc(Nc3cc(O)ccc3C)c2c1.
What is the InChIKey of ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate?
The InChIKey is UGALTLOXMJBJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)13-5-7-16-15(10-13)17(8-9-20-16)21-18-11-14(22)6-4-12(18)2/h4-11,22H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate?
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate is sourced from PubChem (CID 58170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).