N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide

C17H19N3O3S — CID 17228443

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-11-4-6-12(7-5-11)24(22,23)20-16-18-10-13-14(19-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyKQKPYWQELCBJNH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.74
Rot. Bonds3

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 17228443) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide
PubChem CID17228443
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-11-4-6-12(7-5-11)24(22,23)20-16-18-10-13-14(19-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyKQKPYWQELCBJNH-UHFFFAOYSA-N
XLogP2.74
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-6,8-dihydroquinazolin-5-one
CID 1401946
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide
CID 767885
2-(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007872
7,7-dimethyl-2-(phenylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
CID 65143399
7,7-dimethyl-2-(2-methylpyrimidin-4-yl)-6,8-dihydroquinazolin-5-one
CID 115528248
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62391065
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 139233189
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-[(3-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007871
2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 116728284
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide (CID 17228443) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is KQKPYWQELCBJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-4-6-12(7-5-11)24(22,23)20-16-18-10-13-14(19-16)8-17(2,3)9-15(13)21/h4-7,10H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 17228443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).