3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C15H11ClN2O2 — CID 121384984

IUPAC3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2c(O)cc(Cl)cn12
InChIInChI=1S/C15H11ClN2O2/c16-12-7-13(19)14-17-8-11(15(20)18(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2
InChIKeyMECJNHLDNRVGCE-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.64
Rot. Bonds2

About 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384984) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID121384984
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2c(O)cc(Cl)cn12
InChIInChI=1S/C15H11ClN2O2/c16-12-7-13(19)14-17-8-11(15(20)18(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2
InChIKeyMECJNHLDNRVGCE-UHFFFAOYSA-N
XLogP2.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 121384984) is 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one is O=c1c(Cc2ccccc2)cnc2c(O)cc(Cl)cn12.
What is the InChIKey of 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MECJNHLDNRVGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-7-13(19)14-17-8-11(15(20)18(14)9-12)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2.
What are the key properties of 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).