N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide

C22H24ClN5O — CID 22273457

IUPACN-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2Cl)CC(C)N1c1ncnc2ccccc12
InChIInChI=1S/C22H24ClN5O/c1-15-11-27(13-21(29)26-20-10-6-4-8-18(20)23)12-16(2)28(15)22-17-7-3-5-9-19(17)24-14-25-22/h3-10,14-16H,11-13H2,1-2H3,(H,26,29)
InChIKeyUTOHUEYQGMKHBU-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.82
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide (PubChem CID 22273457) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide
PubChem CID22273457
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC NameN-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2Cl)CC(C)N1c1ncnc2ccccc12
InChIInChI=1S/C22H24ClN5O/c1-15-11-27(13-21(29)26-20-10-6-4-8-18(20)23)12-16(2)28(15)22-17-7-3-5-9-19(17)24-14-25-22/h3-10,14-16H,11-13H2,1-2H3,(H,26,29)
InChIKeyUTOHUEYQGMKHBU-UHFFFAOYSA-N
XLogP3.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)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

2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-[2-(methylamino)ethoxy]phenyl]acetamide
CID 22273365
2-(3,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 91343933
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
CID 25030791
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844
N-(2-chlorophenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799834
N-(2-chlorophenyl)-2-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799798

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide (CID 22273457) is N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide is CC1CN(CC(=O)Nc2ccccc2Cl)CC(C)N1c1ncnc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is UTOHUEYQGMKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-15-11-27(13-21(29)26-20-10-6-4-8-18(20)23)12-16(2)28(15)22-17-7-3-5-9-19(17)24-14-25-22/h3-10,14-16H,11-13H2,1-2H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 409.92 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22273457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).