2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide

C17H12N6O2 — CID 25068582

IUPAC2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25)
InChIKeyJZJMWGOUBNOIMO-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.61
Rot. Bonds3

About 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide

2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide (PubChem CID 25068582) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
PubChem CID25068582
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25)
InChIKeyJZJMWGOUBNOIMO-UHFFFAOYSA-N
XLogP3.61
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide (CID 25068582) is 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide is O=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The InChIKey is JZJMWGOUBNOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25).
What are the key properties of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).