2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone

C24H20N2OS — CID 3746558

IUPAC2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
SMILESCc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C24H20N2OS/c1-16-13-14-21-20(15-16)17(2)25-24(26-21)28-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3
InChIKeyDFMDXLMNSNPMFO-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.96
Rot. Bonds5

About 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone

2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone (PubChem CID 3746558) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
PubChem CID3746558
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone
SMILESCc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1
InChIInChI=1S/C24H20N2OS/c1-16-13-14-21-20(15-16)17(2)25-24(26-21)28-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3
InChIKeyDFMDXLMNSNPMFO-UHFFFAOYSA-N
XLogP5.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The IUPAC name of 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone (CID 3746558) is 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone.
What is the SMILES notation for 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The canonical SMILES for 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone is Cc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1.
What is the InChIKey of 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
The InChIKey is DFMDXLMNSNPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-16-13-14-21-20(15-16)17(2)25-24(26-21)28-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3.
What are the key properties of 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone?
2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone has a molecular weight of 384.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1,2-diphenylethanone is sourced from PubChem (CID 3746558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).