N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide

C21H13Cl2N3O — CID 23934303

IUPACN-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-16-9-5-11-18(19(16)23)26-21(27)14-7-2-1-6-13(14)20-15-8-3-4-10-17(15)24-12-25-20/h1-12H,(H,26,27)
InChIKeyZVFRXRNKLBPZBP-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.86
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide

N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide (PubChem CID 23934303) has the molecular formula C21H13Cl2N3O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
PubChem CID23934303
Molecular FormulaC21H13Cl2N3O
Molecular Weight394.26 g/mol
Exact Mass393.04
IUPAC NameN-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncnc2ccccc12
InChIInChI=1S/C21H13Cl2N3O/c22-16-9-5-11-18(19(16)23)26-21(27)14-7-2-1-6-13(14)20-15-8-3-4-10-17(15)24-12-25-20/h1-12H,(H,26,27)
InChIKeyZVFRXRNKLBPZBP-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide 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

methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
CID 23738654
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23938464
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
4-acetamido-2-chloro-N-(3-quinazolin-4-ylphenyl)benzamide
CID 70933812
2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
CID 100999874
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 71268346
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
(1S,6R)-6-[[2-[(2,3-dichlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6975293

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide (CID 23934303) is N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncnc2ccccc12.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide?
The InChIKey is ZVFRXRNKLBPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O/c22-16-9-5-11-18(19(16)23)26-21(27)14-7-2-1-6-13(14)20-15-8-3-4-10-17(15)24-12-25-20/h1-12H,(H,26,27).
What are the key properties of N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide?
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide has a molecular weight of 394.26 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide is sourced from PubChem (CID 23934303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).