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

C24H17N3O2S — CID 91398896

IUPAC3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3scnc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H17N3O2S/c1-29-18-13-11-17(12-14-18)27-23(26-20-10-6-5-9-19(20)24(27)28)22-21(25-15-30-22)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyAPGWYXKDRFAGRI-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.18
Rot. Bonds4

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

3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one (PubChem CID 91398896) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
PubChem CID91398896
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
SMILESCOc1ccc(-n2c(-c3scnc3-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H17N3O2S/c1-29-18-13-11-17(12-14-18)27-23(26-20-10-6-5-9-19(20)24(27)28)22-21(25-15-30-22)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyAPGWYXKDRFAGRI-UHFFFAOYSA-N
XLogP5.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one (CID 91398896) is 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one is COc1ccc(-n2c(-c3scnc3-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one?
The InChIKey is APGWYXKDRFAGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c1-29-18-13-11-17(12-14-18)27-23(26-20-10-6-5-9-19(20)24(27)28)22-21(25-15-30-22)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one?
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one has a molecular weight of 411.49 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 91398896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).