2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C12H18N4O — CID 135425126

IUPAC2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C12H18N4O/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,1-8H2,(H,14,15,17)
InChIKeyMFASCOKOIGPQFW-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.06
Rot. Bonds1

About 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135425126) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135425126
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C12H18N4O/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,1-8H2,(H,14,15,17)
InChIKeyMFASCOKOIGPQFW-UHFFFAOYSA-N
XLogP0.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135425126) is 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCNCC2)nc2c1CCCC2.
What is the InChIKey of 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is MFASCOKOIGPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,1-8H2,(H,14,15,17).
What are the key properties of 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135425126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).