N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

C21H23ClN2O2 — CID 113127883

IUPACN-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-15-14-18(22)9-10-19(15)23(16(2)25)13-11-21(26)24-12-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3
InChIKeyHWJUVFCJGYVLLO-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.37
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide

N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113127883) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
PubChem CID113127883
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1C
InChIInChI=1S/C21H23ClN2O2/c1-15-14-18(22)9-10-19(15)23(16(2)25)13-11-21(26)24-12-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3
InChIKeyHWJUVFCJGYVLLO-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide 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

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893
N-[2-(4-chlorophenyl)ethyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113165464
N-(4-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127859
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-(2,6-dichlorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113134217
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127873
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide (CID 113127883) is N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is HWJUVFCJGYVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-14-18(22)9-10-19(15)23(16(2)25)13-11-21(26)24-12-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide?
N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).