6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one

C13H13N5O2 — CID 14207188

IUPAC6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCn3ncnn3)ccc2[nH]1
InChIInChI=1S/C13H13N5O2/c19-13-5-2-10-8-11(3-4-12(10)16-13)20-7-1-6-18-15-9-14-17-18/h2-5,8-9H,1,6-7H2,(H,16,19)
InChIKeyADSIKJQGXGQQPC-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.98
Rot. Bonds5

About 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one

6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one (PubChem CID 14207188) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one
PubChem CID14207188
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCn3ncnn3)ccc2[nH]1
InChIInChI=1S/C13H13N5O2/c19-13-5-2-10-8-11(3-4-12(10)16-13)20-7-1-6-18-15-9-14-17-18/h2-5,8-9H,1,6-7H2,(H,16,19)
InChIKeyADSIKJQGXGQQPC-UHFFFAOYSA-N
XLogP0.98
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one (CID 14207188) is 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCCCn3ncnn3)ccc2[nH]1.
What is the InChIKey of 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one?
The InChIKey is ADSIKJQGXGQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-13-5-2-10-8-11(3-4-12(10)16-13)20-7-1-6-18-15-9-14-17-18/h2-5,8-9H,1,6-7H2,(H,16,19).
What are the key properties of 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one?
6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one has a molecular weight of 271.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(tetrazol-2-yl)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 14207188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).