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

C17H13N5O2 — CID 3536587

IUPAC3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
SMILESCOc1ccc(-n2nnnc2-c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H13N5O2/c1-24-12-8-6-11(7-9-12)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-10H,1H3,(H,18,23)
InChIKeyHWNWZKQWEKHLAR-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.18
Rot. Bonds3

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

3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one (PubChem CID 3536587) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
PubChem CID3536587
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
SMILESCOc1ccc(-n2nnnc2-c2c[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H13N5O2/c1-24-12-8-6-11(7-9-12)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-10H,1H3,(H,18,23)
InChIKeyHWNWZKQWEKHLAR-UHFFFAOYSA-N
XLogP2.18
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
3-[1-(4-phenylphenyl)tetrazol-5-yl]-1H-indole
CID 822975
5-chloro-3-(1-naphthalen-2-yltetrazol-5-yl)-1H-indole
CID 735869
1H-indol-3-yl-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30858410
5-chloro-3-[1-(4-chlorophenyl)tetrazol-5-yl]-1H-indole
CID 2729740
1-methyl-3-(1-phenyltetrazol-5-yl)quinolin-4-one
CID 822915
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
CID 1046837

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The IUPAC name of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one (CID 3536587) is 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The canonical SMILES for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one is COc1ccc(-n2nnnc2-c2c[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
The InChIKey is HWNWZKQWEKHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-12-8-6-11(7-9-12)22-17(19-20-21-22)14-10-18-15-5-3-2-4-13(15)16(14)23/h2-10H,1H3,(H,18,23).
What are the key properties of 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one?
3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one has a molecular weight of 319.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one is sourced from PubChem (CID 3536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).