6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione

C17H21N7O2 — CID 20720165

IUPAC6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c(C2CCCCN2Cc2nn[nH]n2)c1C
InChIInChI=1S/C17H21N7O2/c1-9-7-11-15(19-17(26)16(25)18-11)14(10(9)2)12-5-3-4-6-24(12)8-13-20-22-23-21-13/h7,12H,3-6,8H2,1-2H3,(H,18,25)(H,19,26)(H,20,21,22,23)
InChIKeyXBDBRHQJNUYFIQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.07
Rot. Bonds3

About 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione

6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 20720165) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID20720165
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c(C2CCCCN2Cc2nn[nH]n2)c1C
InChIInChI=1S/C17H21N7O2/c1-9-7-11-15(19-17(26)16(25)18-11)14(10(9)2)12-5-3-4-6-24(12)8-13-20-22-23-21-13/h7,12H,3-6,8H2,1-2H3,(H,18,25)(H,19,26)(H,20,21,22,23)
InChIKeyXBDBRHQJNUYFIQ-UHFFFAOYSA-N
XLogP1.07
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione (CID 20720165) is 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2c(C2CCCCN2Cc2nn[nH]n2)c1C.
What is the InChIKey of 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is XBDBRHQJNUYFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-9-7-11-15(19-17(26)16(25)18-11)14(10(9)2)12-5-3-4-6-24(12)8-13-20-22-23-21-13/h7,12H,3-6,8H2,1-2H3,(H,18,25)(H,19,26)(H,20,21,22,23).
What are the key properties of 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione?
6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 355.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 20720165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).