4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

C16H19N5 — CID 25071940

IUPAC4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)
InChIKeyRUYAYUXGAJYOPE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.23
Rot. Bonds1

About 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 25071940) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID25071940
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)
InChIKeyRUYAYUXGAJYOPE-UHFFFAOYSA-N
XLogP1.23
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 25071940) is 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1nc2c(c(N3CCNCC3)n1)CCc1ccccc1-2.
What is the InChIKey of 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is RUYAYUXGAJYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20).
What are the key properties of 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 25071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).