6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

C25H24N2O5S — CID 134146044

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)15-33-25-26-21-14-23(32-4)22(31-3)13-20(21)24(28)27(25)17-7-11-19(30-2)12-8-17/h5-14H,15H2,1-4H3
InChIKeyVFTVNGBIJHUGFI-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.71
Rot. Bonds8

About 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 134146044) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID134146044
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)15-33-25-26-21-14-23(32-4)22(31-3)13-20(21)24(28)27(25)17-7-11-19(30-2)12-8-17/h5-14H,15H2,1-4H3
InChIKeyVFTVNGBIJHUGFI-UHFFFAOYSA-N
XLogP4.71
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (CID 134146044) is 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is VFTVNGBIJHUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)15-33-25-26-21-14-23(32-4)22(31-3)13-20(21)24(28)27(25)17-7-11-19(30-2)12-8-17/h5-14H,15H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 464.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 134146044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).