(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C16H18N6O2 — CID 8628062

IUPAC(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C16H18N6O2/c1-4-7-22-15(19-20-21-22)9-24-16(23)12-5-6-13-14(8-12)18-11(3)10(2)17-13/h5-6,8H,4,7,9H2,1-3H3
InChIKeyOHYPJIBOAMZNED-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.00
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 8628062) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID8628062
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C16H18N6O2/c1-4-7-22-15(19-20-21-22)9-24-16(23)12-5-6-13-14(8-12)18-11(3)10(2)17-13/h5-6,8H,4,7,9H2,1-3H3
InChIKeyOHYPJIBOAMZNED-UHFFFAOYSA-N
XLogP2.00
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 8628062) is (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is CCCn1nnnc1COC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is OHYPJIBOAMZNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-4-7-22-15(19-20-21-22)9-24-16(23)12-5-6-13-14(8-12)18-11(3)10(2)17-13/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 8628062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).