2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C13H18N4O — CID 4873914

IUPAC2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCN(c2ncc3c(n2)CCCC3=O)CC1
InChIInChI=1S/C13H18N4O/c1-16-5-7-17(8-6-16)13-14-9-10-11(15-13)3-2-4-12(10)18/h9H,2-8H2,1H3
InChIKeyUDQQIRSSARUBHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.75
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4873914) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4873914
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCN1CCN(c2ncc3c(n2)CCCC3=O)CC1
InChIInChI=1S/C13H18N4O/c1-16-5-7-17(8-6-16)13-14-9-10-11(15-13)3-2-4-12(10)18/h9H,2-8H2,1H3
InChIKeyUDQQIRSSARUBHS-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 4873914) is 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CN1CCN(c2ncc3c(n2)CCCC3=O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is UDQQIRSSARUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-5-7-17(8-6-16)13-14-9-10-11(15-13)3-2-4-12(10)18/h9H,2-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 246.31 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4873914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).