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

C20H19N7O — CID 73442705

IUPACpiperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCCCC1
InChIInChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22)
InChIKeyVAPHZNNLLMUXPK-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.04
Rot. Bonds3

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

piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (PubChem CID 73442705) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
PubChem CID73442705
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Namepiperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
SMILESO=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCCCC1
InChIInChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22)
InChIKeyVAPHZNNLLMUXPK-UHFFFAOYSA-N
XLogP3.04
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone (CID 73442705) is piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
The InChIKey is VAPHZNNLLMUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22).
What are the key properties of piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone?
piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 73442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).