ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate

C20H20N2O4 — CID 13038487

IUPACethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)ccc(OC)c2c1Nc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-4-26-20(23)14-12-21-19-16(25-3)11-10-15(24-2)17(19)18(14)22-13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyOKBKCKLQNLCIRP-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.17
Rot. Bonds6

About ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate

ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate (PubChem CID 13038487) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
PubChem CID13038487
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)ccc(OC)c2c1Nc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-4-26-20(23)14-12-21-19-16(25-3)11-10-15(24-2)17(19)18(14)22-13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyOKBKCKLQNLCIRP-UHFFFAOYSA-N
XLogP4.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-anilino-5-chloro-6,8-dimethoxyquinoline-3-carboxylate
CID 44537262
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-methoxy-5-methyl-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate
CID 20529032
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate (CID 13038487) is ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is OKBKCKLQNLCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-26-20(23)14-12-21-19-16(25-3)11-10-15(24-2)17(19)18(14)22-13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate?
ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 13038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).