N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide

C17H17N3O2 — CID 5201771

IUPACN-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide
SMILESCC1(C)Nc2ccccc2C(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(2)18-14-11-7-6-10-13(14)16(22)20(17)19-15(21)12-8-4-3-5-9-12/h3-11,18H,1-2H3,(H,19,21)
InChIKeyIAQREEIVRFYEIN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.64
Rot. Bonds2

About N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide

N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide (PubChem CID 5201771) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide
PubChem CID5201771
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide
SMILESCC1(C)Nc2ccccc2C(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(2)18-14-11-7-6-10-13(14)16(22)20(17)19-15(21)12-8-4-3-5-9-12/h3-11,18H,1-2H3,(H,19,21)
InChIKeyIAQREEIVRFYEIN-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazolinedione
CID 64048
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Hydroxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 220188
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Amino-1H-quinazoline-2,4-dione
CID 968929
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Phenylquinazoline-2,4-dione
CID 242637

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide (CID 5201771) is N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide is CC1(C)Nc2ccccc2C(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide?
The InChIKey is IAQREEIVRFYEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2)18-14-11-7-6-10-13(14)16(22)20(17)19-15(21)12-8-4-3-5-9-12/h3-11,18H,1-2H3,(H,19,21).
What are the key properties of N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide?
N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-1H-quinazolin-3-yl)benzamide is sourced from PubChem (CID 5201771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).