cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

C24H25NO4 — CID 23823125

IUPACcyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC3CCCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-22-13-12-16(14-23(22)28-2)21-15-19(18-10-6-7-11-20(18)25-21)24(26)29-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3
InChIKeyWOGIVFXPIXBYHD-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.41
Rot. Bonds5

About cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (PubChem CID 23823125) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
PubChem CID23823125
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namecyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC3CCCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-22-13-12-16(14-23(22)28-2)21-15-19(18-10-6-7-11-20(18)25-21)24(26)29-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3
InChIKeyWOGIVFXPIXBYHD-UHFFFAOYSA-N
XLogP5.41
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-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

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 39902956
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530923
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2458555
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51669994
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate (CID 23823125) is cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OC3CCCCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is WOGIVFXPIXBYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-27-22-13-12-16(14-23(22)28-2)21-15-19(18-10-6-7-11-20(18)25-21)24(26)29-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3.
What are the key properties of cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate?
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 23823125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).