8-methoxy-5-phenyltetrazolo[1,5-a]quinoline

C16H12N4O — CID 732211

IUPAC8-methoxy-5-phenyltetrazolo[1,5-a]quinoline
SMILESCOc1ccc2c(-c3ccccc3)cc3nnnn3c2c1
InChIInChI=1S/C16H12N4O/c1-21-12-7-8-13-14(11-5-3-2-4-6-11)10-16-17-18-19-20(16)15(13)9-12/h2-10H,1H3
InChIKeyQHVOCAHLTJJPAP-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.95
Rot. Bonds2

About 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline

8-methoxy-5-phenyltetrazolo[1,5-a]quinoline (PubChem CID 732211) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name8-methoxy-5-phenyltetrazolo[1,5-a]quinoline
PubChem CID732211
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name8-methoxy-5-phenyltetrazolo[1,5-a]quinoline
SMILESCOc1ccc2c(-c3ccccc3)cc3nnnn3c2c1
InChIInChI=1S/C16H12N4O/c1-21-12-7-8-13-14(11-5-3-2-4-6-11)10-16-17-18-19-20(16)15(13)9-12/h2-10H,1H3
InChIKeyQHVOCAHLTJJPAP-UHFFFAOYSA-N
XLogP2.95
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline?
The IUPAC name of 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline (CID 732211) is 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline.
What is the SMILES notation for 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline?
The canonical SMILES for 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline is COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1.
What is the InChIKey of 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline?
The InChIKey is QHVOCAHLTJJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-21-12-7-8-13-14(11-5-3-2-4-6-11)10-16-17-18-19-20(16)15(13)9-12/h2-10H,1H3.
What are the key properties of 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline?
8-methoxy-5-phenyltetrazolo[1,5-a]quinoline has a molecular weight of 276.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-phenyltetrazolo[1,5-a]quinoline is sourced from PubChem (CID 732211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).