N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide

C18H16N4O3S — CID 3665092

IUPACN-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3S/c1-10-6-5-7-11(2)14(10)20-15(23)16(24)21-22-17(25)12-8-3-4-9-13(12)19-18(22)26/h3-9H,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyOHIJLEFDOAPOON-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.38
Rot. Bonds2

About N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide

N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide (PubChem CID 3665092) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide
PubChem CID3665092
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3S/c1-10-6-5-7-11(2)14(10)20-15(23)16(24)21-22-17(25)12-8-3-4-9-13(12)19-18(22)26/h3-9H,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyOHIJLEFDOAPOON-UHFFFAOYSA-N
XLogP2.38
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 27760595
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenylbutanamide
CID 2797243
3-methoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 804987
1,5-dimethyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide
CID 17021541
3-(3,5-dimethylpyrazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 3461189
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
4-ethoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 3311158
2-(4-methoxyphenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4048190
2-(2-bromophenoxy)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 3391433
2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4775451
3-(4-methoxyphenyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1H-pyrazole-5-carboxamide
CID 3461121
3-(2,2-dimethylpropanoyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4771184

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide (CID 3665092) is N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide?
The InChIKey is OHIJLEFDOAPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-6-5-7-11(2)14(10)20-15(23)16(24)21-22-17(25)12-8-3-4-9-13(12)19-18(22)26/h3-9H,1-2H3,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide?
N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide has a molecular weight of 368.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide is sourced from PubChem (CID 3665092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).