N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide

C17H12N6O — CID 167805727

IUPACN-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H12N6O/c24-17(13-6-1-5-12(10-13)16-20-22-23-21-16)19-14-8-2-4-11-7-3-9-18-15(11)14/h1-10H,(H,19,24)(H,20,21,22,23)
InChIKeyFXXAMQJOFHWGJL-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds3

About N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide

N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 167805727) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
PubChem CID167805727
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H12N6O/c24-17(13-6-1-5-12(10-13)16-20-22-23-21-16)19-14-8-2-4-11-7-3-9-18-15(11)14/h1-10H,(H,19,24)(H,20,21,22,23)
InChIKeyFXXAMQJOFHWGJL-UHFFFAOYSA-N
XLogP2.67
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide (CID 167805727) is N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide is O=C(Nc1cccc2cccnc12)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FXXAMQJOFHWGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-17(13-6-1-5-12(10-13)16-20-22-23-21-16)19-14-8-2-4-11-7-3-9-18-15(11)14/h1-10H,(H,19,24)(H,20,21,22,23).
What are the key properties of N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide?
N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 167805727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).