3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one

C25H20N4O2S — CID 25017849

IUPAC3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)s1
InChIInChI=1S/C25H20N4O2S/c1-26-25-28-21(16-10-4-3-5-11-16)22(32-25)23-27-18-13-7-6-12-17(18)24(30)29(23)19-14-8-9-15-20(19)31-2/h3-15H,1-2H3,(H,26,28)
InChIKeyVNFBTPGRSWAUOB-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.23
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one

3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one (PubChem CID 25017849) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
PubChem CID25017849
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)s1
InChIInChI=1S/C25H20N4O2S/c1-26-25-28-21(16-10-4-3-5-11-16)22(32-25)23-27-18-13-7-6-12-17(18)24(30)29(23)19-14-8-9-15-20(19)31-2/h3-15H,1-2H3,(H,26,28)
InChIKeyVNFBTPGRSWAUOB-UHFFFAOYSA-N
XLogP5.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one (CID 25017849) is 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one is CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)s1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
The InChIKey is VNFBTPGRSWAUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-26-25-28-21(16-10-4-3-5-11-16)22(32-25)23-27-18-13-7-6-12-17(18)24(30)29(23)19-14-8-9-15-20(19)31-2/h3-15H,1-2H3,(H,26,28).
What are the key properties of 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one?
3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one has a molecular weight of 440.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 25017849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).