6-butyl-3-(2H-tetrazol-5-yl)quinoline

C14H15N5 — CID 90668429

IUPAC6-butyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCCCCc1ccc2ncc(-c3nn[nH]n3)cc2c1
InChIInChI=1S/C14H15N5/c1-2-3-4-10-5-6-13-11(7-10)8-12(9-15-13)14-16-18-19-17-14/h5-9H,2-4H2,1H3,(H,16,17,18,19)
InChIKeyXHPOQJLDCSAJST-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.76
Rot. Bonds4

About 6-butyl-3-(2H-tetrazol-5-yl)quinoline

6-butyl-3-(2H-tetrazol-5-yl)quinoline (PubChem CID 90668429) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-butyl-3-(2H-tetrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-butyl-3-(2H-tetrazol-5-yl)quinoline
PubChem CID90668429
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-butyl-3-(2H-tetrazol-5-yl)quinoline
SMILESCCCCc1ccc2ncc(-c3nn[nH]n3)cc2c1
InChIInChI=1S/C14H15N5/c1-2-3-4-10-5-6-13-11(7-10)8-12(9-15-13)14-16-18-19-17-14/h5-9H,2-4H2,1H3,(H,16,17,18,19)
InChIKeyXHPOQJLDCSAJST-UHFFFAOYSA-N
XLogP2.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-butyl-3-(2H-tetrazol-5-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(2H-tetrazol-5-yl)quinoline?
The IUPAC name of 6-butyl-3-(2H-tetrazol-5-yl)quinoline (CID 90668429) is 6-butyl-3-(2H-tetrazol-5-yl)quinoline.
What is the SMILES notation for 6-butyl-3-(2H-tetrazol-5-yl)quinoline?
The canonical SMILES for 6-butyl-3-(2H-tetrazol-5-yl)quinoline is CCCCc1ccc2ncc(-c3nn[nH]n3)cc2c1.
What is the InChIKey of 6-butyl-3-(2H-tetrazol-5-yl)quinoline?
The InChIKey is XHPOQJLDCSAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-3-4-10-5-6-13-11(7-10)8-12(9-15-13)14-16-18-19-17-14/h5-9H,2-4H2,1H3,(H,16,17,18,19).
What are the key properties of 6-butyl-3-(2H-tetrazol-5-yl)quinoline?
6-butyl-3-(2H-tetrazol-5-yl)quinoline has a molecular weight of 253.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(2H-tetrazol-5-yl)quinoline is sourced from PubChem (CID 90668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).