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

C30H22N4OS — CID 11842419

IUPAC2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C30H22N4OS/c1-20-12-8-11-19-25(20)34-28(32-24-18-10-9-17-23(24)29(34)35)27-26(21-13-4-2-5-14-21)33-30(36-27)31-22-15-6-3-7-16-22/h2-19H,1H3,(H,31,33)
InChIKeyHSZBDYOXWPKWBP-UHFFFAOYSA-N
MW486.60 g/mol
LogP7.23
Rot. Bonds5

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

2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 11842419) has the molecular formula C30H22N4OS and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
PubChem CID11842419
Molecular FormulaC30H22N4OS
Molecular Weight486.60 g/mol
Exact Mass486.15
IUPAC Name2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C30H22N4OS/c1-20-12-8-11-19-25(20)34-28(32-24-18-10-9-17-23(24)29(34)35)27-26(21-13-4-2-5-14-21)33-30(36-27)31-22-15-6-3-7-16-22/h2-19H,1H3,(H,31,33)
InChIKeyHSZBDYOXWPKWBP-UHFFFAOYSA-N
XLogP7.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 57.23
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-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one (CID 11842419) is 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is HSZBDYOXWPKWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4OS/c1-20-12-8-11-19-25(20)34-28(32-24-18-10-9-17-23(24)29(34)35)27-26(21-13-4-2-5-14-21)33-30(36-27)31-22-15-6-3-7-16-22/h2-19H,1H3,(H,31,33).
What are the key properties of 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one?
2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 486.60 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-phenyl-1,3-thiazol-5-yl)-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 11842419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).