7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H11ClN4O2S — CID 24577851

IUPAC7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4ccc(Cl)cc4c3=O)cc(=O)n12
InChIInChI=1S/C16H11ClN4O2S/c1-9-7-24-16-19-11(5-14(22)21(9)16)6-20-8-18-13-3-2-10(17)4-12(13)15(20)23/h2-5,7-8H,6H2,1H3
InChIKeyFVCKKQDXNHLQNF-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.48
Rot. Bonds2

About 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24577851) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID24577851
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3cnc4ccc(Cl)cc4c3=O)cc(=O)n12
InChIInChI=1S/C16H11ClN4O2S/c1-9-7-24-16-19-11(5-14(22)21(9)16)6-20-8-18-13-3-2-10(17)4-12(13)15(20)23/h2-5,7-8H,6H2,1H3
InChIKeyFVCKKQDXNHLQNF-UHFFFAOYSA-N
XLogP2.48
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 24577851) is 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(Cn3cnc4ccc(Cl)cc4c3=O)cc(=O)n12.
What is the InChIKey of 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FVCKKQDXNHLQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c1-9-7-24-16-19-11(5-14(22)21(9)16)6-20-8-18-13-3-2-10(17)4-12(13)15(20)23/h2-5,7-8H,6H2,1H3.
What are the key properties of 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 358.81 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24577851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).