4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C17H21N5 — CID 25128822

IUPAC4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
InChIKeyCEUMRIVIGREJGB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.58
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 25128822) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID25128822
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1
InChIInChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
InChIKeyCEUMRIVIGREJGB-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 25128822) is 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is CEUMRIVIGREJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20).
What are the key properties of 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 25128822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).