2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone

C22H26ClNO4 — CID 142942613

IUPAC2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(C)cncc2Cl)c(OC)c1OC1CCCCC1
InChIInChI=1S/C22H26ClNO4/c1-14-12-24-13-18(23)17(14)11-19(25)16-9-10-20(26-2)22(21(16)27-3)28-15-7-5-4-6-8-15/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyBQEJWIURNCGBLL-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.20
Rot. Bonds7

About 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone

2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone (PubChem CID 142942613) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
PubChem CID142942613
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(C)cncc2Cl)c(OC)c1OC1CCCCC1
InChIInChI=1S/C22H26ClNO4/c1-14-12-24-13-18(23)17(14)11-19(25)16-9-10-20(26-2)22(21(16)27-3)28-15-7-5-4-6-8-15/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeyBQEJWIURNCGBLL-UHFFFAOYSA-N
XLogP5.20
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone 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-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
2-(3-chloro-5-methyl-4-pyridinyl)-1-(6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-yl)ethanone
CID 163432757
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
5-cyclopentyloxy-1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3-oxidophthalazin-3-ium
CID 18504826
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960331
methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
CID 24961786
3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
CID 21187965
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone (CID 142942613) is 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(C)cncc2Cl)c(OC)c1OC1CCCCC1.
What is the InChIKey of 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone?
The InChIKey is BQEJWIURNCGBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-14-12-24-13-18(23)17(14)11-19(25)16-9-10-20(26-2)22(21(16)27-3)28-15-7-5-4-6-8-15/h9-10,12-13,15H,4-8,11H2,1-3H3.
What are the key properties of 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone?
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone has a molecular weight of 403.91 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 142942613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).