6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

C18H12ClN3OS — CID 7587276

IUPAC6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12ClN3OS/c19-13-6-7-16-15(8-13)18(23)22(11-20-16)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyPCSSQANKKHIZRZ-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.22
Rot. Bonds3

About 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (PubChem CID 7587276) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
PubChem CID7587276
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H12ClN3OS/c19-13-6-7-16-15(8-13)18(23)22(11-20-16)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyPCSSQANKKHIZRZ-UHFFFAOYSA-N
XLogP4.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one (CID 7587276) is 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is PCSSQANKKHIZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-13-6-7-16-15(8-13)18(23)22(11-20-16)9-14-10-24-17(21-14)12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 353.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 7587276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).