N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide

C25H23ClN4O2 — CID 23791833

IUPACN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3cccc(Cl)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23ClN4O2/c1-3-29(4-2)20-14-12-17(13-15-20)24(31)28-30-23(18-8-7-9-19(26)16-18)27-22-11-6-5-10-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31)
InChIKeyOTKSODNNVUCEJZ-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.95
Rot. Bonds6

About N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide

N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide (PubChem CID 23791833) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
PubChem CID23791833
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nn2c(-c3cccc(Cl)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23ClN4O2/c1-3-29(4-2)20-14-12-17(13-15-20)24(31)28-30-23(18-8-7-9-19(26)16-18)27-22-11-6-5-10-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31)
InChIKeyOTKSODNNVUCEJZ-UHFFFAOYSA-N
XLogP4.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)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

4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23766664
4-(diethylamino)-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 6737747
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]furan-2-carboxamide
CID 170732422
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridazine-3-carboxamide
CID 170732461
3-methyl-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23881942
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide (CID 23791833) is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)Nn2c(-c3cccc(Cl)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide?
The InChIKey is OTKSODNNVUCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-3-29(4-2)20-14-12-17(13-15-20)24(31)28-30-23(18-8-7-9-19(26)16-18)27-22-11-6-5-10-21(22)25(30)32/h5-16H,3-4H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide?
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-4-(diethylamino)benzamide is sourced from PubChem (CID 23791833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).