4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide

C22H24ClN3O2 — CID 42713238

IUPAC4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
SMILESCCCn1c(C(C)N(CC)C(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24ClN3O2/c1-4-14-26-20(24-19-9-7-6-8-18(19)22(26)28)15(3)25(5-2)21(27)16-10-12-17(23)13-11-16/h6-13,15H,4-5,14H2,1-3H3
InChIKeyPXQMIGUZTYYPPT-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.68
Rot. Bonds6

About 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide

4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide (PubChem CID 42713238) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
PubChem CID42713238
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
SMILESCCCn1c(C(C)N(CC)C(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24ClN3O2/c1-4-14-26-20(24-19-9-7-6-8-18(19)22(26)28)15(3)25(5-2)21(27)16-10-12-17(23)13-11-16/h6-13,15H,4-5,14H2,1-3H3
InChIKeyPXQMIGUZTYYPPT-UHFFFAOYSA-N
XLogP4.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide 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-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 42711344
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-4-methoxybenzamide
CID 42711179
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide (CID 42713238) is 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide is CCCn1c(C(C)N(CC)C(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
The InChIKey is PXQMIGUZTYYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-14-26-20(24-19-9-7-6-8-18(19)22(26)28)15(3)25(5-2)21(27)16-10-12-17(23)13-11-16/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide?
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42713238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).