2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide

C15H20N6O — CID 171933583

IUPAC2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide
SMILESCN1CCN(CC(=O)NNc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H20N6O/c1-20-6-8-21(9-7-20)10-14(22)18-19-15-12-4-2-3-5-13(12)16-11-17-15/h2-5,11H,6-10H2,1H3,(H,18,22)(H,16,17,19)
InChIKeyGDILMYOUOQNUAI-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.32
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide

2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide (PubChem CID 171933583) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide
PubChem CID171933583
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide
SMILESCN1CCN(CC(=O)NNc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H20N6O/c1-20-6-8-21(9-7-20)10-14(22)18-19-15-12-4-2-3-5-13(12)16-11-17-15/h2-5,11H,6-10H2,1H3,(H,18,22)(H,16,17,19)
InChIKeyGDILMYOUOQNUAI-UHFFFAOYSA-N
XLogP0.32
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
CID 119040707
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 115599555
N-prop-2-ynyl-2-(4-quinazolin-4-yl-1,4-diazepan-1-yl)acetamide
CID 133312891
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]phenyl]acetamide
CID 134132979
(1R,6R)-N-benzyl-6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxamide
CID 9118407
N-[(quinazolin-4-ylamino)carbamothioyl]benzamide
CID 66573988
3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
CID 136575720
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
3-bromo-N'-quinazolin-4-ylbenzohydrazide
CID 75445250

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide (CID 171933583) is 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide is CN1CCN(CC(=O)NNc2ncnc3ccccc23)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide?
The InChIKey is GDILMYOUOQNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-6-8-21(9-7-20)10-14(22)18-19-15-12-4-2-3-5-13(12)16-11-17-15/h2-5,11H,6-10H2,1H3,(H,18,22)(H,16,17,19).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide?
2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide has a molecular weight of 300.37 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N'-quinazolin-4-ylacetohydrazide is sourced from PubChem (CID 171933583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).