methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate

C22H22ClNO2 — CID 68781569

IUPACmethyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate
SMILESCOC(=O)Cc1cc(C)cc2nc(C)c(Cc3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C22H22ClNO2/c1-13-9-17(12-21(25)26-4)22-14(2)19(15(3)24-20(22)10-13)11-16-5-7-18(23)8-6-16/h5-10H,11-12H2,1-4H3
InChIKeyRLJCDQOIMCPSQM-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.12
Rot. Bonds4

About methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate

methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate (PubChem CID 68781569) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate
PubChem CID68781569
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Namemethyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate
SMILESCOC(=O)Cc1cc(C)cc2nc(C)c(Cc3ccc(Cl)cc3)c(C)c12
InChIInChI=1S/C22H22ClNO2/c1-13-9-17(12-21(25)26-4)22-14(2)19(15(3)24-20(22)10-13)11-16-5-7-18(23)8-6-16/h5-10H,11-12H2,1-4H3
InChIKeyRLJCDQOIMCPSQM-UHFFFAOYSA-N
XLogP5.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate 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

[5-chloro-3-[(4-chlorophenyl)methyl]-2,4-dimethylquinolin-7-yl] trifluoromethanesulfonate
CID 86631432
2-[2-chloro-3-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-5-yl]oxyacetic acid
CID 141173311
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate
CID 21325981
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
methyl 2-[4-[[2-amino-4-(1-hydroxypentan-2-ylamino)-6-methylpyrimidin-5-yl]methyl]phenyl]acetate
CID 74821185
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,4,7-trimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68606451
6-[(4-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273286

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate?
The IUPAC name of methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate (CID 68781569) is methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate?
The canonical SMILES for methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate is COC(=O)Cc1cc(C)cc2nc(C)c(Cc3ccc(Cl)cc3)c(C)c12.
What is the InChIKey of methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate?
The InChIKey is RLJCDQOIMCPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-13-9-17(12-21(25)26-4)22-14(2)19(15(3)24-20(22)10-13)11-16-5-7-18(23)8-6-16/h5-10H,11-12H2,1-4H3.
What are the key properties of methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate?
methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate has a molecular weight of 367.88 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-chlorophenyl)methyl]-2,4,7-trimethylquinolin-5-yl]acetate is sourced from PubChem (CID 68781569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).