1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline

C11H13N5 — CID 167923299

IUPAC1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
SMILESCN1CCC(c2nn[nH]n2)c2ccccc21
InChIInChI=1S/C11H13N5/c1-16-7-6-9(11-12-14-15-13-11)8-4-2-3-5-10(8)16/h2-5,9H,6-7H2,1H3,(H,12,13,14,15)
InChIKeyZWSHHVLGPHRYFN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.17
Rot. Bonds1

About 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline

1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline (PubChem CID 167923299) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
PubChem CID167923299
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
SMILESCN1CCC(c2nn[nH]n2)c2ccccc21
InChIInChI=1S/C11H13N5/c1-16-7-6-9(11-12-14-15-13-11)8-4-2-3-5-10(8)16/h2-5,9H,6-7H2,1H3,(H,12,13,14,15)
InChIKeyZWSHHVLGPHRYFN-UHFFFAOYSA-N
XLogP1.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline (CID 167923299) is 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline is CN1CCC(c2nn[nH]n2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is ZWSHHVLGPHRYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-7-6-9(11-12-14-15-13-11)8-4-2-3-5-10(8)16/h2-5,9H,6-7H2,1H3,(H,12,13,14,15).
What are the key properties of 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline?
1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 215.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 167923299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).