3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline

C11H11N5 — CID 143629037

IUPAC3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline
SMILESCC1=NNN(c2cnc3ccccc3c2)N1
InChIInChI=1S/C11H11N5/c1-8-13-15-16(14-8)10-6-9-4-2-3-5-11(9)12-7-10/h2-7,15H,1H3,(H,13,14)
InChIKeyOWIAMURNRDFJES-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.40
Rot. Bonds1

About 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline

3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline (PubChem CID 143629037) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline.

Molecular Properties

Compound Name3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline
PubChem CID143629037
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline
SMILESCC1=NNN(c2cnc3ccccc3c2)N1
InChIInChI=1S/C11H11N5/c1-8-13-15-16(14-8)10-6-9-4-2-3-5-11(9)12-7-10/h2-7,15H,1H3,(H,13,14)
InChIKeyOWIAMURNRDFJES-UHFFFAOYSA-N
XLogP1.40
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-quinolin-3-yl-1H-benzimidazol-2-one
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4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
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2,6-dimethyl-4-quinolin-3-ylmorpholine
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3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]quinoline
CID 56904377
3-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)quinoline
CID 142421658
3-ethyl-4-quinolin-3-yl-1H-1,2,4-triazole-5-thione
CID 55115405
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
3-(2,5,5-trimethylpiperazin-1-yl)quinoline
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methyl 1-quinolin-3-ylazetidine-2-carboxylate
CID 112581415

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline?
The IUPAC name of 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline (CID 143629037) is 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline.
What is the SMILES notation for 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline?
The canonical SMILES for 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline is CC1=NNN(c2cnc3ccccc3c2)N1.
What is the InChIKey of 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline?
The InChIKey is OWIAMURNRDFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-8-13-15-16(14-8)10-6-9-4-2-3-5-11(9)12-7-10/h2-7,15H,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline?
3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline has a molecular weight of 213.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dihydrotetrazol-2-yl)quinoline is sourced from PubChem (CID 143629037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).