6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one

C17H16N2O2S — CID 21004566

IUPAC6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
SMILESCOc1ccc2nc(C)n(CSc3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H16N2O2S/c1-12-18-16-9-8-13(21-2)10-15(16)17(20)19(12)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLHZIJFHBEYYAQZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.46
Rot. Bonds4

About 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one

6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one (PubChem CID 21004566) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
PubChem CID21004566
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
SMILESCOc1ccc2nc(C)n(CSc3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H16N2O2S/c1-12-18-16-9-8-13(21-2)10-15(16)17(20)19(12)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLHZIJFHBEYYAQZ-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-methylquinazolin-4-one
CID 42952061
3-benzhydryl-6-(2-hydroxyethoxy)-2-methylquinazolin-4-one
CID 58186963
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
9-methoxy-5-phenylindazolo[3,2-b]quinazolin-7-one
CID 86304179
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46975396
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
CID 122431840

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one (CID 21004566) is 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one is COc1ccc2nc(C)n(CSc3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one?
The InChIKey is LHZIJFHBEYYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-18-16-9-8-13(21-2)10-15(16)17(20)19(12)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one?
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one has a molecular weight of 312.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one is sourced from PubChem (CID 21004566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).