ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate

C20H26N2O2 — CID 135272181

IUPACethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1
InChIInChI=1S/C20H26N2O2/c1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22/h10-13H,5-9H2,1-4H3
InChIKeyMTTDPPIFDZEWKA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.26
Rot. Bonds3

About ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate

ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate (PubChem CID 135272181) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
PubChem CID135272181
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1
InChIInChI=1S/C20H26N2O2/c1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22/h10-13H,5-9H2,1-4H3
InChIKeyMTTDPPIFDZEWKA-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)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

1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048537
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 163201437
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
ethyl 6-fluoro-4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-8-methylquinoline-3-carboxylate
CID 133486042
ethyl 4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carboxylate
CID 133453618
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate (CID 135272181) is ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C)CC1.
What is the InChIKey of ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
The InChIKey is MTTDPPIFDZEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-24-20(23)17-12-21-18-15(4)10-14(3)11-16(18)19(17)22-8-6-13(2)7-9-22/h10-13H,5-9H2,1-4H3.
What are the key properties of ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate?
ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 135272181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).