4-(7-chloroquinazolin-4-yl)piperazin-2-one

C12H11ClN4O — CID 24507988

IUPAC4-(7-chloroquinazolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ncnc3cc(Cl)ccc23)CCN1
InChIInChI=1S/C12H11ClN4O/c13-8-1-2-9-10(5-8)15-7-16-12(9)17-4-3-14-11(18)6-17/h1-2,5,7H,3-4,6H2,(H,14,18)
InChIKeyLYPDXGDRGYZWEN-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.22
Rot. Bonds1

About 4-(7-chloroquinazolin-4-yl)piperazin-2-one

4-(7-chloroquinazolin-4-yl)piperazin-2-one (PubChem CID 24507988) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-(7-chloroquinazolin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(7-chloroquinazolin-4-yl)piperazin-2-one
PubChem CID24507988
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-(7-chloroquinazolin-4-yl)piperazin-2-one
SMILESO=C1CN(c2ncnc3cc(Cl)ccc23)CCN1
InChIInChI=1S/C12H11ClN4O/c13-8-1-2-9-10(5-8)15-7-16-12(9)17-4-3-14-11(18)6-17/h1-2,5,7H,3-4,6H2,(H,14,18)
InChIKeyLYPDXGDRGYZWEN-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinazolin-4-yl)piperazin-2-one?
The IUPAC name of 4-(7-chloroquinazolin-4-yl)piperazin-2-one (CID 24507988) is 4-(7-chloroquinazolin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(7-chloroquinazolin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(7-chloroquinazolin-4-yl)piperazin-2-one is O=C1CN(c2ncnc3cc(Cl)ccc23)CCN1.
What is the InChIKey of 4-(7-chloroquinazolin-4-yl)piperazin-2-one?
The InChIKey is LYPDXGDRGYZWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-8-1-2-9-10(5-8)15-7-16-12(9)17-4-3-14-11(18)6-17/h1-2,5,7H,3-4,6H2,(H,14,18).
What are the key properties of 4-(7-chloroquinazolin-4-yl)piperazin-2-one?
4-(7-chloroquinazolin-4-yl)piperazin-2-one has a molecular weight of 262.70 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinazolin-4-yl)piperazin-2-one is sourced from PubChem (CID 24507988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).