1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

C20H20N2OS — CID 1442868

IUPAC1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2OS/c1-13(2)19-21-17-7-5-4-6-16(17)20(22-19)24-12-18(23)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3
InChIKeyUQCYPEAKVNFESC-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (PubChem CID 1442868) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
PubChem CID1442868
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2OS/c1-13(2)19-21-17-7-5-4-6-16(17)20(22-19)24-12-18(23)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3
InChIKeyUQCYPEAKVNFESC-UHFFFAOYSA-N
XLogP5.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
1-(4-Fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
CID 1442866
N-(2-oxo-2-phenylethyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 1503574
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
Methyl [(2-phenylquinazolin-4-yl)sulfanyl]acetate
CID 865071
2-[6-Methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-1-p-tolyl-ethanone
CID 1374630
Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1435013
N-(4-Acetyl-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435055
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488
Ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442565
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(1,1-dimethyl-propyl)-acetamide
CID 1442570
Cyclohexanecarboxylic acid N'-[2-(2-propyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1442626

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (CID 1442868) is 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is Cc1ccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The InChIKey is UQCYPEAKVNFESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13(2)19-21-17-7-5-4-6-16(17)20(22-19)24-12-18(23)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone has a molecular weight of 336.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 1442868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).