7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide

C15H14ClN5O3 — CID 59696725

IUPAC7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(NOC1CCCCO1)c1cc2cc(Cl)ccc2n2nnnc12
InChIInChI=1S/C15H14ClN5O3/c16-10-4-5-12-9(7-10)8-11(14-17-19-20-21(12)14)15(22)18-24-13-3-1-2-6-23-13/h4-5,7-8,13H,1-3,6H2,(H,18,22)
InChIKeyBZTXSQMDBCODLF-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.12
Rot. Bonds3

About 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide

7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 59696725) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 g/mol. Its IUPAC name is 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
PubChem CID59696725
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC Name7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESO=C(NOC1CCCCO1)c1cc2cc(Cl)ccc2n2nnnc12
InChIInChI=1S/C15H14ClN5O3/c16-10-4-5-12-9(7-10)8-11(14-17-19-20-21(12)14)15(22)18-24-13-3-1-2-6-23-13/h4-5,7-8,13H,1-3,6H2,(H,18,22)
InChIKeyBZTXSQMDBCODLF-UHFFFAOYSA-N
XLogP2.12
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide (CID 59696725) is 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide is O=C(NOC1CCCCO1)c1cc2cc(Cl)ccc2n2nnnc12.
What is the InChIKey of 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is BZTXSQMDBCODLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c16-10-4-5-12-9(7-10)8-11(14-17-19-20-21(12)14)15(22)18-24-13-3-1-2-6-23-13/h4-5,7-8,13H,1-3,6H2,(H,18,22).
What are the key properties of 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 347.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 59696725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).