ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

C22H24N2O3 — CID 23821530

IUPACethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(CC)cccc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-5-15-8-7-9-16-20(15)23-13-17(22(25)27-6-2)21(16)24-18-12-14(3)10-11-19(18)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyUHBPGNMMDQGROW-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.03
Rot. Bonds6

About ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate

ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (PubChem CID 23821530) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
PubChem CID23821530
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(CC)cccc2c1Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N2O3/c1-5-15-8-7-9-16-20(15)23-13-17(22(25)27-6-2)21(16)24-18-12-14(3)10-11-19(18)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)
InChIKeyUHBPGNMMDQGROW-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate 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-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate (CID 23821530) is ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cc(C)ccc1OC.
What is the InChIKey of ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
The InChIKey is UHBPGNMMDQGROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-15-8-7-9-16-20(15)23-13-17(22(25)27-6-2)21(16)24-18-12-14(3)10-11-19(18)26-4/h7-13H,5-6H2,1-4H3,(H,23,24).
What are the key properties of ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate?
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23821530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).