2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one

C21H20N4O2 — CID 70206488

IUPAC2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one
SMILESNC(=O)c1ccccc1N.O=C1NC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C14H12N2O.C7H8N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10/h1-9,13,15H,(H,16,17);1-4H,8H2,(H2,9,10)
InChIKeyJONDGXORECJTBW-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.91
Rot. Bonds2

About 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one

2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 70206488) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID70206488
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one
SMILESNC(=O)c1ccccc1N.O=C1NC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C14H12N2O.C7H8N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10/h1-9,13,15H,(H,16,17);1-4H,8H2,(H2,9,10)
InChIKeyJONDGXORECJTBW-UHFFFAOYSA-N
XLogP2.91
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one (CID 70206488) is 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one is NC(=O)c1ccccc1N.O=C1NC(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is JONDGXORECJTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C7H8N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10/h1-9,13,15H,(H,16,17);1-4H,8H2,(H2,9,10).
What are the key properties of 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one?
2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 360.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 70206488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).