ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride

C20H21ClN2O4 — CID 13038443

IUPACethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC.Cl
InChIInChI=1S/C20H20N2O4.ClH/c1-4-26-20(23)14-12-21-19-13(8-7-11-17(19)25-3)18(14)22-15-9-5-6-10-16(15)24-2;/h5-12H,4H2,1-3H3,(H,21,22);1H
InChIKeyGWABEZHJVSPHNE-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.59
Rot. Bonds6

About ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride

ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride (PubChem CID 13038443) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
PubChem CID13038443
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Nameethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC.Cl
InChIInChI=1S/C20H20N2O4.ClH/c1-4-26-20(23)14-12-21-19-13(8-7-11-17(19)25-3)18(14)22-15-9-5-6-10-16(15)24-2;/h5-12H,4H2,1-3H3,(H,21,22);1H
InChIKeyGWABEZHJVSPHNE-UHFFFAOYSA-N
XLogP4.59
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
CID 23993661
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride (CID 13038443) is ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC.Cl.
What is the InChIKey of ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is GWABEZHJVSPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4.ClH/c1-4-26-20(23)14-12-21-19-13(8-7-11-17(19)25-3)18(14)22-15-9-5-6-10-16(15)24-2;/h5-12H,4H2,1-3H3,(H,21,22);1H.
What are the key properties of ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride?
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 13038443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).