2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone

C19H18N2OS — CID 2478100

IUPAC2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncnc3ccccc23)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-12-8-13(2)18(14(3)9-12)17(22)10-23-19-15-6-4-5-7-16(15)20-11-21-19/h4-9,11H,10H2,1-3H3
InChIKeyBQACGBQCTFECLH-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.53
Rot. Bonds4

About 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone

2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 2478100) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID2478100
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2ncnc3ccccc23)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-12-8-13(2)18(14(3)9-12)17(22)10-23-19-15-6-4-5-7-16(15)20-11-21-19/h4-9,11H,10H2,1-3H3
InChIKeyBQACGBQCTFECLH-UHFFFAOYSA-N
XLogP4.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 16627264
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
4-[(4-methylphenyl)methylsulfanyl]quinazoline
CID 2377234
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607901
1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2378987
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone (CID 2478100) is 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2ncnc3ccccc23)c(C)c1.
What is the InChIKey of 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is BQACGBQCTFECLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-8-13(2)18(14(3)9-12)17(22)10-23-19-15-6-4-5-7-16(15)20-11-21-19/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone?
2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 322.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 2478100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).