3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one

C16H10FN5O — CID 135463515

IUPAC3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN5O/c17-11-5-7-12(8-6-11)22-20-15(19-21-22)13-9-10-3-1-2-4-14(10)18-16(13)23/h1-9H,(H,18,23)
InChIKeyIZKTVILWXUJLJB-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.31
Rot. Bonds2

About 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one

3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one (PubChem CID 135463515) has the molecular formula C16H10FN5O and a molecular weight of 307.29 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
PubChem CID135463515
Molecular FormulaC16H10FN5O
Molecular Weight307.29 g/mol
Exact Mass307.09
IUPAC Name3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H10FN5O/c17-11-5-7-12(8-6-11)22-20-15(19-21-22)13-9-10-3-1-2-4-14(10)18-16(13)23/h1-9H,(H,18,23)
InChIKeyIZKTVILWXUJLJB-UHFFFAOYSA-N
XLogP2.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
N-[2-[2-(4-methylphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737171
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-propylbenzamide
CID 134131281
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-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
N-[2-(2-phenyltetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 134130371
3-(2-phenyl-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817225
N-[2-(2-phenyltetrazol-5-yl)phenyl]acetamide
CID 145964072
N-(2-Fluoro-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 579008
N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 59364077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one (CID 135463515) is 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The InChIKey is IZKTVILWXUJLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O/c17-11-5-7-12(8-6-11)22-20-15(19-21-22)13-9-10-3-1-2-4-14(10)18-16(13)23/h1-9H,(H,18,23).
What are the key properties of 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one has a molecular weight of 307.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)tetrazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135463515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).