4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline

C19H20N2S — CID 712225

IUPAC4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline
SMILESCc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H20N2S/c1-13-11-14(2)18-17(12-13)15(3)20-19(21-18)22-10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeySWQVIKLVYJYMPB-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.89
Rot. Bonds4

About 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline

4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline (PubChem CID 712225) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline.

Molecular Properties

Compound Name4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline
PubChem CID712225
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline
SMILESCc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1
InChIInChI=1S/C19H20N2S/c1-13-11-14(2)18-17(12-13)15(3)20-19(21-18)22-10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeySWQVIKLVYJYMPB-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline 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

N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
2-Ethoxy-6-methyl-4-phenylquinazoline
CID 742337
4-Phenylquinazolin-2-amine
CID 267618
2-Chloro-6-methyl-4-phenylquinazoline
CID 1897009
2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
CID 2017190
6-Methyl-4-phenylquinazoline
CID 609651
2-Chloro-4-phenylquinazoline
CID 3123582
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
N,N-dimethyl-2-(methylsulfanyl)-4-quinazolinamine
CID 3743824

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline?
The IUPAC name of 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline (CID 712225) is 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline.
What is the SMILES notation for 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline?
The canonical SMILES for 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline is Cc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1.
What is the InChIKey of 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline?
The InChIKey is SWQVIKLVYJYMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-13-11-14(2)18-17(12-13)15(3)20-19(21-18)22-10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline?
4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline has a molecular weight of 308.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-2-(2-phenylethylsulfanyl)quinazoline is sourced from PubChem (CID 712225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).