N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide

C22H23ClN4O2 — CID 50844421

IUPACN-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide
SMILESO=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O2/c23-17-8-6-7-16(13-17)14-24-20(28)15-27-21(29)18-9-2-3-10-19(18)25-22(27)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,28)
InChIKeyRAMAPQQCPSVPKU-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.36
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide (PubChem CID 50844421) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide
PubChem CID50844421
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide
SMILESO=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O2/c23-17-8-6-7-16(13-17)14-24-20(28)15-27-21(29)18-9-2-3-10-19(18)25-22(27)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,28)
InChIKeyRAMAPQQCPSVPKU-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-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

6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
4(3H)-Quinazolinone, 6-chloro-2-(4-methyl-1-piperazinyl)-
CID 135570464
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Cloperidone
CID 10675
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658023
2-({2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658101
FR-255595
CID 135532443
8-Chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)propyl]-3,4-dihydroquinazolin-4-one
CID 135537658
Cloperidone Hydrochloride
CID 10674
1-(4-chlorobenzyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5(1H)-one
CID 761910
2-({2-[(3R)-3-aminopiperidin-1-yl]-7-chloro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658024
2-[(4-acetylpiperazin-1-yl)methyl]-7-chloro-3H-quinazolin-4-one
CID 135399991

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide (CID 50844421) is N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide is O=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide?
The InChIKey is RAMAPQQCPSVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-8-6-7-16(13-17)14-24-20(28)15-27-21(29)18-9-2-3-10-19(18)25-22(27)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-oxo-2-piperidin-1-ylquinazolin-3-yl)acetamide is sourced from PubChem (CID 50844421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).