ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate

C20H20N2O3 — CID 13038439

IUPACethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyCRJUJZNGVQRIJL-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.47
Rot. Bonds5

About ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate

ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate (PubChem CID 13038439) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
PubChem CID13038439
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChIKeyCRJUJZNGVQRIJL-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 4-(2-methylanilino)-8-methylsulfanylquinoline-3-carboxylate
CID 13038499
ethyl 8-[hydroxy-(4-hydroxyphenyl)methyl]-4-(2-methylanilino)quinoline-3-carboxylate
CID 139661322
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

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate (CID 13038439) is ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.
What is the InChIKey of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
The InChIKey is CRJUJZNGVQRIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate?
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 13038439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).