N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide

C15H19N3O2 — CID 14585474

IUPACN-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)C)n(C)c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c1-9-6-7-11-10(8-9)12(19)18(5)14(16-11)17-13(20)15(2,3)4/h6-8H,1-5H3,(H,16,17,20)
InChIKeyHFEDBINAIZOOMJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds1

About N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide

N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide (PubChem CID 14585474) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
PubChem CID14585474
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
SMILESCc1ccc2nc(NC(=O)C(C)(C)C)n(C)c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c1-9-6-7-11-10(8-9)12(19)18(5)14(16-11)17-13(20)15(2,3)4/h6-8H,1-5H3,(H,16,17,20)
InChIKeyHFEDBINAIZOOMJ-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 123577272
N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
CID 15915184
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 46484530
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 55752339

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide (CID 14585474) is N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide is Cc1ccc2nc(NC(=O)C(C)(C)C)n(C)c(=O)c2c1.
What is the InChIKey of N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is HFEDBINAIZOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-6-7-11-10(8-9)12(19)18(5)14(16-11)17-13(20)15(2,3)4/h6-8H,1-5H3,(H,16,17,20).
What are the key properties of N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide?
N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 14585474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).