2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one

C26H24N2O4S — CID 4200726

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC
InChIInChI=1S/C26H24N2O4S/c1-17(29)18-12-13-24(32-3)20(14-18)16-33-26-27-22-10-6-5-9-21(22)25(30)28(26)15-19-8-4-7-11-23(19)31-2/h4-14H,15-16H2,1-3H3
InChIKeyXODHYVVCXNPXPD-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.96
Rot. Bonds8

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one (PubChem CID 4200726) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
PubChem CID4200726
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC
InChIInChI=1S/C26H24N2O4S/c1-17(29)18-12-13-24(32-3)20(14-18)16-33-26-27-22-10-6-5-9-21(22)25(30)28(26)15-19-8-4-7-11-23(19)31-2/h4-14H,15-16H2,1-3H3
InChIKeyXODHYVVCXNPXPD-UHFFFAOYSA-N
XLogP4.96
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-benzyl-6-[2-(dimethylamino)ethoxy]quinazolin-4-one
CID 162664532
N-benzyl-2-[3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4200728
methyl 3-[2-[(2-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate
CID 9066377
ethyl 4-[3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate
CID 4114838
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 8947099
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4-one
CID 4565347
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 35056184
3-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde
CID 19582578
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 34436853
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 8581817
5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-6-(2-methoxyphenyl)-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 3312114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one (CID 4200726) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one is COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is XODHYVVCXNPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-17(29)18-12-13-24(32-3)20(14-18)16-33-26-27-22-10-6-5-9-21(22)25(30)28(26)15-19-8-4-7-11-23(19)31-2/h4-14H,15-16H2,1-3H3.
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 460.56 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 4200726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).