2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C16H14N4O2 — CID 4778135

IUPAC2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1N
InChIInChI=1S/C16H14N4O2/c1-10-18-14-9-5-3-7-12(14)16(22)20(10)19-15(21)11-6-2-4-8-13(11)17/h2-9H,17H2,1H3,(H,19,21)
InChIKeyZVDAUZSSJCEOGK-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 4778135) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID4778135
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1N
InChIInChI=1S/C16H14N4O2/c1-10-18-14-9-5-3-7-12(14)16(22)20(10)19-15(21)11-6-2-4-8-13(11)17/h2-9H,17H2,1H3,(H,19,21)
InChIKeyZVDAUZSSJCEOGK-UHFFFAOYSA-N
XLogP1.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 4778135) is 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is ZVDAUZSSJCEOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-18-14-9-5-3-7-12(14)16(22)20(10)19-15(21)11-6-2-4-8-13(11)17/h2-9H,17H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 4778135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).