8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one

C15H15ClN4O2 — CID 46885297

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN1CCN(c2nc(=O)[nH]c3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN4O2/c1-19-4-6-20(7-5-19)14-13-12(17-15(21)18-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H,17,18,21)
InChIKeyOYBVTWJHXOTAFX-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.07
Rot. Bonds1

About 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one

8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 46885297) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID46885297
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN1CCN(c2nc(=O)[nH]c3c2oc2ccc(Cl)cc23)CC1
InChIInChI=1S/C15H15ClN4O2/c1-19-4-6-20(7-5-19)14-13-12(17-15(21)18-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H,17,18,21)
InChIKeyOYBVTWJHXOTAFX-UHFFFAOYSA-N
XLogP2.07
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 46885297) is 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one is CN1CCN(c2nc(=O)[nH]c3c2oc2ccc(Cl)cc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is OYBVTWJHXOTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-19-4-6-20(7-5-19)14-13-12(17-15(21)18-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H,17,18,21).
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 318.76 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)-1H-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 46885297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).