2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline

C18H18N2S — CID 112812948

IUPAC2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline
SMILESCc1ccc(SCc2nc(C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H18N2S/c1-12-8-9-17(13(2)10-12)21-11-18-19-14(3)15-6-4-5-7-16(15)20-18/h4-10H,11H2,1-3H3
InChIKeyYVEKWLOPBACLCU-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.85
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline

2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline (PubChem CID 112812948) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline
PubChem CID112812948
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline
SMILESCc1ccc(SCc2nc(C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C18H18N2S/c1-12-8-9-17(13(2)10-12)21-11-18-19-14(3)15-6-4-5-7-16(15)20-18/h4-10H,11H2,1-3H3
InChIKeyYVEKWLOPBACLCU-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-2-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 43302936
(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol
CID 95968629
2-[(4-methylphenyl)sulfanylmethyl]quinazolin-4-amine
CID 27913615
5-methyl-2-[(2-methylquinolin-4-yl)methylsulfanyl]aniline
CID 79230908
4-methyl-2-propylquinazoline
CID 102028335
2-benzylsulfanyl-4,7-dimethylquinazoline
CID 750429
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]quinazolin-4-amine
CID 79128586
[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438735
2-[2-(2,4-dimethylphenyl)sulfanylethyl]aniline
CID 62497268
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 135710821
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 102525960

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline (CID 112812948) is 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline is Cc1ccc(SCc2nc(C)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline?
The InChIKey is YVEKWLOPBACLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-8-9-17(13(2)10-12)21-11-18-19-14(3)15-6-4-5-7-16(15)20-18/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline?
2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline has a molecular weight of 294.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfanylmethyl]-4-methylquinazoline is sourced from PubChem (CID 112812948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).