piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

C19H18N8O — CID 73442464

IUPACpiperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCNCC1
InChIInChI=1S/C19H18N8O/c28-19(26-11-9-20-10-12-26)13-5-7-14(8-6-13)21-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8,20H,9-12H2,(H,21,22)
InChIKeySZFRSFXIUBUESD-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.46
Rot. Bonds3

About piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone

piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73442464) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73442464
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Namepiperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCNCC1
InChIInChI=1S/C19H18N8O/c28-19(26-11-9-20-10-12-26)13-5-7-14(8-6-13)21-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8,20H,9-12H2,(H,21,22)
InChIKeySZFRSFXIUBUESD-UHFFFAOYSA-N
XLogP1.46
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73442464) is piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is SZFRSFXIUBUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c28-19(26-11-9-20-10-12-26)13-5-7-14(8-6-13)21-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8,20H,9-12H2,(H,21,22).
What are the key properties of piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 374.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73442464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).