4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline

C19H20N2O2S — CID 7145338

IUPAC4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
SMILESCOc1cc(C)c(CSc2nc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-9-17(22-3)18(23-4)10-14(12)11-24-19-15-7-5-6-8-16(15)20-13(2)21-19/h5-10H,11H2,1-4H3
InChIKeyPXAVHDFRFPLSAD-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.56
Rot. Bonds5

About 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline

4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline (PubChem CID 7145338) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline.

Molecular Properties

Compound Name4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
PubChem CID7145338
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
SMILESCOc1cc(C)c(CSc2nc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O2S/c1-12-9-17(22-3)18(23-4)10-14(12)11-24-19-15-7-5-6-8-16(15)20-13(2)21-19/h5-10H,11H2,1-4H3
InChIKeyPXAVHDFRFPLSAD-UHFFFAOYSA-N
XLogP4.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2-methylquinazoline
CID 112774793
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
4-[(3,4-dichlorophenyl)methylsulfanyl]-2-methylquinazoline
CID 7210038
1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone
CID 7144829
2-(difluoromethyl)-4-[(2-methoxyphenyl)methylsulfanyl]quinazoline
CID 133311623
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7680307
7-methyl-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]chromen-2-one
CID 7210001
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 7861348
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline?
The IUPAC name of 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline (CID 7145338) is 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline.
What is the SMILES notation for 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline?
The canonical SMILES for 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline is COc1cc(C)c(CSc2nc(C)nc3ccccc23)cc1OC.
What is the InChIKey of 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline?
The InChIKey is PXAVHDFRFPLSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12-9-17(22-3)18(23-4)10-14(12)11-24-19-15-7-5-6-8-16(15)20-13(2)21-19/h5-10H,11H2,1-4H3.
What are the key properties of 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline?
4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline has a molecular weight of 340.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline is sourced from PubChem (CID 7145338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).