3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride

C22H27Cl2N5 — CID 118308571

IUPAC3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CC2CN(c3nc4ccccc4nc3NC3CC3)CCN2)cc1
InChIInChI=1S/C22H25N5.2ClH/c1-2-6-16(7-3-1)14-18-15-27(13-12-23-18)22-21(24-17-10-11-17)25-19-8-4-5-9-20(19)26-22;;/h1-9,17-18,23H,10-15H2,(H,24,25);2*1H
InChIKeySUGIYXUYEVFPDR-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.07
Rot. Bonds5

About 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride

3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride (PubChem CID 118308571) has the molecular formula C22H27Cl2N5 and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride
PubChem CID118308571
Molecular FormulaC22H27Cl2N5
Molecular Weight432.40 g/mol
Exact Mass431.16
IUPAC Name3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CC2CN(c3nc4ccccc4nc3NC3CC3)CCN2)cc1
InChIInChI=1S/C22H25N5.2ClH/c1-2-6-16(7-3-1)14-18-15-27(13-12-23-18)22-21(24-17-10-11-17)25-19-8-4-5-9-20(19)26-22;;/h1-9,17-18,23H,10-15H2,(H,24,25);2*1H
InChIKeySUGIYXUYEVFPDR-UHFFFAOYSA-N
XLogP4.07
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride?
The IUPAC name of 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride (CID 118308571) is 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride.
What is the SMILES notation for 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride?
The canonical SMILES for 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride is Cl.Cl.c1ccc(CC2CN(c3nc4ccccc4nc3NC3CC3)CCN2)cc1.
What is the InChIKey of 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride?
The InChIKey is SUGIYXUYEVFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5.2ClH/c1-2-6-16(7-3-1)14-18-15-27(13-12-23-18)22-21(24-17-10-11-17)25-19-8-4-5-9-20(19)26-22;;/h1-9,17-18,23H,10-15H2,(H,24,25);2*1H.
What are the key properties of 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride?
3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride has a molecular weight of 432.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine;dihydrochloride is sourced from PubChem (CID 118308571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).