2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline

C17H16N2S — CID 112774837

IUPAC2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCc1cccc(CSc2nc(C)nc3ccccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-7-14(10-12)11-20-17-15-8-3-4-9-16(15)18-13(2)19-17/h3-10H,11H2,1-2H3
InChIKeyZNWVONVTEIALDE-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.54
Rot. Bonds3

About 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline

2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline (PubChem CID 112774837) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
PubChem CID112774837
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
SMILESCc1cccc(CSc2nc(C)nc3ccccc23)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-7-14(10-12)11-20-17-15-8-3-4-9-16(15)18-13(2)19-17/h3-10H,11H2,1-2H3
InChIKeyZNWVONVTEIALDE-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dichlorophenyl)methylsulfanyl]-2-methylquinazoline
CID 7210038
N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889060
2-methyl-4-[(4-nitrophenyl)methylsulfanyl]quinazoline
CID 7145378
7-methyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one
CID 7210001
4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
CID 7145338
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4299873
1-methyl-4-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 50743321
1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
CID 7239500
4-[(3-methylphenyl)methylsulfanyl]quinolin-3-amine
CID 103963903
methyl 4-[(4-methylphenyl)methoxy]-2-[(3-methylphenyl)methylsulfanyl]quinoline-3-carboxylate
CID 20942066
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline?
The IUPAC name of 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline (CID 112774837) is 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline is Cc1cccc(CSc2nc(C)nc3ccccc23)c1.
What is the InChIKey of 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline?
The InChIKey is ZNWVONVTEIALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-6-5-7-14(10-12)11-20-17-15-8-3-4-9-16(15)18-13(2)19-17/h3-10H,11H2,1-2H3.
What are the key properties of 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline?
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline has a molecular weight of 280.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 112774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).