2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid

C25H19N5O3 — CID 15155413

IUPAC2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1nnnc1-c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H19N5O3/c31-25(32)22-10-3-1-7-19(22)15-30-24(27-28-29-30)18-8-5-9-21(14-18)33-16-20-13-12-17-6-2-4-11-23(17)26-20/h1-14H,15-16H2,(H,31,32)
InChIKeyIGJGKNJXINPROD-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.21
Rot. Bonds7

About 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid

2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid (PubChem CID 15155413) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid
PubChem CID15155413
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1nnnc1-c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H19N5O3/c31-25(32)22-10-3-1-7-19(22)15-30-24(27-28-29-30)18-8-5-9-21(14-18)33-16-20-13-12-17-6-2-4-11-23(17)26-20/h1-14H,15-16H2,(H,31,32)
InChIKeyIGJGKNJXINPROD-UHFFFAOYSA-N
XLogP4.21
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid (CID 15155413) is 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid is O=C(O)c1ccccc1Cn1nnnc1-c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid?
The InChIKey is IGJGKNJXINPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-25(32)22-10-3-1-7-19(22)15-30-24(27-28-29-30)18-8-5-9-21(14-18)33-16-20-13-12-17-6-2-4-11-23(17)26-20/h1-14H,15-16H2,(H,31,32).
What are the key properties of 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid?
2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid has a molecular weight of 437.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 15155413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).