N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide

C17H18N4O2S — CID 17198254

IUPACN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1nc(NC(=O)CSc2ccccn2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H18N4O2S/c1-10-7-12-16(13(22)8-10)11(2)19-17(20-12)21-14(23)9-24-15-5-3-4-6-18-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,21,23)
InChIKeyXQNCRAACVMDYJV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.68
Rot. Bonds4

About N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide

N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 17198254) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID17198254
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1nc(NC(=O)CSc2ccccn2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C17H18N4O2S/c1-10-7-12-16(13(22)8-10)11(2)19-17(20-12)21-14(23)9-24-15-5-3-4-6-18-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,21,23)
InChIKeyXQNCRAACVMDYJV-UHFFFAOYSA-N
XLogP2.68
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide (CID 17198254) is N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide is Cc1nc(NC(=O)CSc2ccccn2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is XQNCRAACVMDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-7-12-16(13(22)8-10)11(2)19-17(20-12)21-14(23)9-24-15-5-3-4-6-18-15/h3-6,10H,7-9H2,1-2H3,(H,19,20,21,23).
What are the key properties of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide?
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 342.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 17198254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).