2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

C25H19N5O — CID 19808918

IUPAC2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
SMILESC=C(c1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C25H19N5O/c1-17(19-7-4-9-21(14-19)25-27-29-30-28-25)20-8-5-10-23(15-20)31-16-22-13-12-18-6-2-3-11-24(18)26-22/h2-15H,1,16H2,(H,27,28,29,30)
InChIKeyKQQIPISWHCVCPZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.06
Rot. Bonds6

About 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 19808918) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
PubChem CID19808918
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
SMILESC=C(c1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C25H19N5O/c1-17(19-7-4-9-21(14-19)25-27-29-30-28-25)20-8-5-10-23(15-20)31-16-22-13-12-18-6-2-3-11-24(18)26-22/h2-15H,1,16H2,(H,27,28,29,30)
InChIKeyKQQIPISWHCVCPZ-UHFFFAOYSA-N
XLogP5.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 10293984
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
2-[[2-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[3-[[4-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[2-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 173254790
6-[(E)-2-[3-(quinolin-2-ylmethoxy)phenyl]ethenyl]-2-(2H-tetrazol-5-yl)-1,3-benzoxazole
CID 19994759
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
2-[[4-[[2-methyl-6-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616083
2-[[3-[(E)-2-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]ethenyl]phenoxy]methyl]quinoline;hydrochloride
CID 19808987
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[[3-[[3-methyl-2-(2H-tetrazol-5-yl)-1-benzothiophen-5-yl]oxymethyl]phenoxy]methyl]quinoline
CID 14995293

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 19808918) is 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is C=C(c1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?
The InChIKey is KQQIPISWHCVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-17(19-7-4-9-21(14-19)25-27-29-30-28-25)20-8-5-10-23(15-20)31-16-22-13-12-18-6-2-3-11-24(18)26-22/h2-15H,1,16H2,(H,27,28,29,30).
What are the key properties of 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 405.46 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 19808918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).