3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one

C16H11N5O — CID 135817225

IUPAC3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccccc2)n1
InChIInChI=1S/C16H11N5O/c22-16-13(10-11-6-4-5-9-14(11)17-16)15-18-20-21(19-15)12-7-2-1-3-8-12/h1-10H,(H,17,22)
InChIKeyGAFSLGIDBDOXSL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds2

About 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one

3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one (PubChem CID 135817225) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one
PubChem CID135817225
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccccc2)n1
InChIInChI=1S/C16H11N5O/c22-16-13(10-11-6-4-5-9-14(11)17-16)15-18-20-21(19-15)12-7-2-1-3-8-12/h1-10H,(H,17,22)
InChIKeyGAFSLGIDBDOXSL-UHFFFAOYSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Ethyl-phenyl)-3-phenyl-2-(1H-tetrazol-5-yl)-propionamide
CID 3170956
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
CID 134131281
3-(2-(4-fluorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135463515
3-(2-(3,4-dichlorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817222
N-[2-(2-phenyltetrazol-5-yl)phenyl]cyclohexanecarboxamide
CID 145974134
2-[5-(2-Aminophenyl)-2H-1,2,3,4-tetrazol-2-YL]-N-(4-ethylphenyl)acetamide
CID 858730
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 134130371
N-[2-(2-phenyltetrazol-5-yl)phenyl]acetamide
CID 145964072
N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 856050
N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 59364077

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one (CID 135817225) is 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nnn(-c2ccccc2)n1.
What is the InChIKey of 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one?
The InChIKey is GAFSLGIDBDOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16-13(10-11-6-4-5-9-14(11)17-16)15-18-20-21(19-15)12-7-2-1-3-8-12/h1-10H,(H,17,22).
What are the key properties of 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one?
3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one has a molecular weight of 289.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyltetrazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).