N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide

C17H15N3O2 — CID 141277541

IUPACN-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c1-10-4-3-5-11(2)15(10)20-16(21)12-6-7-14-13(8-12)17(22)19-9-18-14/h3-9H,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyGPUYZVHCEJDFQU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.79
Rot. Bonds2

About N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide

N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide (PubChem CID 141277541) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
PubChem CID141277541
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c1-10-4-3-5-11(2)15(10)20-16(21)12-6-7-14-13(8-12)17(22)19-9-18-14/h3-9H,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyGPUYZVHCEJDFQU-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide
CID 135520524
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
CID 45086799
N-(2,4-dimethyl-6-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 18847586
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-nitrobenzamide
CID 135491145
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide (CID 141277541) is N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide?
The InChIKey is GPUYZVHCEJDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-4-3-5-11(2)15(10)20-16(21)12-6-7-14-13(8-12)17(22)19-9-18-14/h3-9H,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide?
N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide is sourced from PubChem (CID 141277541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).