2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid

C82H69Cl2N11O7 — CID 158245292

About 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid

2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid (PubChem CID 158245292) has the molecular formula C82H69Cl2N11O7 and a molecular weight of 1391.43 g/mol. Its IUPAC name is 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid.

Molecular Properties

• Compound Name: 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid
• PubChem CID: 158245292
• Molecular Formula: C82H69Cl2N11O7
• Molecular Weight: 1391.43 g/mol
• Exact Mass: 1389.48
• IUPAC Name: 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid
• SMILES: Cc1ccc(-c2nc(Cl)c3ccccc3n2)cc1.Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)c3ccccc3n2)cc1.Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.Cc1ccc(C(=O)Cl)cc1.Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1.NC(=O)c1ccccc1N
• InChI: InChI=1S/C22H17N3O2.C15H11ClN2.C15H14N2O2.C15H12N2O.C8H7ClO.C7H8N2O/c1-14-6-8-15(9-7-14)20-24-19-5-3-2-4-18(19)21(25-20)23-17-12-10-16(11-13-17)22(26)27;1-10-6-8-11(9-7-10)15-17-13-5-3-2-4-12(13)14(16)18-15;1-10-6-8-11(9-7-10)15(19)17-13-5-3-2-4-12(13)14(16)18;1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14;1-6-2-4-7(5-3-6)8(9)10;8-6-4-2-1-3-5(6)7(9)10/h2-13H,1H3,(H,26,27)(H,23,24,25);2-9H,1H3;2-9H,1H3,(H2,16,18)(H,17,19);2-9H,1H3,(H,16,17,18);2-5H,1H3;1-4H,8H2,(H2,9,10)
• InChIKey: GGASZAOCLVVDCM-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 305.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1391.43
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid?

The IUPAC name of 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid (CID 158245292) is 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid.

What is the SMILES notation for 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid?

The canonical SMILES for 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid is Cc1ccc(-c2nc(Cl)c3ccccc3n2)cc1.Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)c3ccccc3n2)cc1.Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.Cc1ccc(C(=O)Cl)cc1.Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1.NC(=O)c1ccccc1N.

What is the InChIKey of 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid?

The InChIKey is GGASZAOCLVVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C15H11ClN2.C15H14N2O2.C15H12N2O.C8H7ClO.C7H8N2O/c1-14-6-8-15(9-7-14)20-24-19-5-3-2-4-18(19)21(25-20)23-17-12-10-16(11-13-17)22(26)27;1-10-6-8-11(9-7-10)15-17-13-5-3-2-4-12(13)14(16)18-15;1-10-6-8-11(9-7-10)15(19)17-13-5-3-2-4-12(13)14(16)18;1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14;1-6-2-4-7(5-3-6)8(9)10;8-6-4-2-1-3-5(6)7(9)10/h2-13H,1H3,(H,26,27)(H,23,24,25);2-9H,1H3;2-9H,1H3,(H2,16,18)(H,17,19);2-9H,1H3,(H,16,17,18);2-5H,1H3;1-4H,8H2,(H2,9,10).

What are the key properties of 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid?

2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid has a molecular weight of 1391.43 g/mol, XLogP of 17.29, 11 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminobenzamide;4-chloro-2-(4-methylphenyl)quinazoline;2-[(4-methylbenzoyl)amino]benzamide;4-methylbenzoyl chloride;2-(4-methylphenyl)-3H-quinazolin-4-one;4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid is sourced from PubChem (CID 158245292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).