2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one

C25H20N4OS — CID 11842418

IUPAC2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2C)nc2ccccc2c1=O
InChIInChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27)
InChIKeySBZNIFMIWIDIJO-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.87
Rot. Bonds4

About 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one

2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 11842418) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
PubChem CID11842418
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2C)nc2ccccc2c1=O
InChIInChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27)
InChIKeySBZNIFMIWIDIJO-UHFFFAOYSA-N
XLogP5.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one (CID 11842418) is 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2C)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is SBZNIFMIWIDIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27).
What are the key properties of 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 424.53 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-methyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 11842418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).