methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate

C23H31N3O3 — CID 118263728

IUPACmethyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C23H31N3O3/c1-28-21-15-26(13-12-20(21)24-17-9-4-3-5-10-17)22-18(23(27)29-2)14-16-8-6-7-11-19(16)25-22/h6-8,11,14,17,20-21,24H,3-5,9-10,12-13,15H2,1-2H3
InChIKeyHAUGLWGNVCAGLQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.54
Rot. Bonds5

About methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate

methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate (PubChem CID 118263728) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate
PubChem CID118263728
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Namemethyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1N1CCC(NC2CCCCC2)C(OC)C1
InChIInChI=1S/C23H31N3O3/c1-28-21-15-26(13-12-20(21)24-17-9-4-3-5-10-17)22-18(23(27)29-2)14-16-8-6-7-11-19(16)25-22/h6-8,11,14,17,20-21,24H,3-5,9-10,12-13,15H2,1-2H3
InChIKeyHAUGLWGNVCAGLQ-UHFFFAOYSA-N
XLogP3.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate?
The IUPAC name of methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate (CID 118263728) is methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate is COC(=O)c1cc2ccccc2nc1N1CCC(NC2CCCCC2)C(OC)C1.
What is the InChIKey of methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate?
The InChIKey is HAUGLWGNVCAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-21-15-26(13-12-20(21)24-17-9-4-3-5-10-17)22-18(23(27)29-2)14-16-8-6-7-11-19(16)25-22/h6-8,11,14,17,20-21,24H,3-5,9-10,12-13,15H2,1-2H3.
What are the key properties of methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate?
methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 118263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).