2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide

C18H18N4O2 — CID 1166507

IUPAC2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O
InChIInChI=1S/C18H18N4O2/c1-11-5-3-4-6-15(11)21-17(23)10-22-12(2)20-16-8-7-13(19)9-14(16)18(22)24/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyFKCVALYNIHGNRH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.23
Rot. Bonds3

About 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide

2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 1166507) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID1166507
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O
InChIInChI=1S/C18H18N4O2/c1-11-5-3-4-6-15(11)21-17(23)10-22-12(2)20-16-8-7-13(19)9-14(16)18(22)24/h3-9H,10,19H2,1-2H3,(H,21,23)
InChIKeyFKCVALYNIHGNRH-UHFFFAOYSA-N
XLogP2.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.23
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-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide (CID 1166507) is 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O.
What is the InChIKey of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is FKCVALYNIHGNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-5-3-4-6-15(11)21-17(23)10-22-12(2)20-16-8-7-13(19)9-14(16)18(22)24/h3-9H,10,19H2,1-2H3,(H,21,23).
What are the key properties of 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide?
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1166507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).