2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

C24H19N5O — CID 10293984

IUPAC2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19N5O/c1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyRNKVUBSUKXIRGB-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.58
Rot. Bonds6

About 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline

2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (PubChem CID 10293984) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
PubChem CID10293984
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19N5O/c1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
InChIKeyRNKVUBSUKXIRGB-UHFFFAOYSA-N
XLogP4.58
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[4-[[2-methyl-6-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616083
2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
CID 54189770
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
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808918
2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline (CID 10293984) is 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is c1ccc2nc(COc3ccc(Cc4ccc(-c5nn[nH]n5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
The InChIKey is RNKVUBSUKXIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-2-4-23-19(3-1)11-12-21(25-23)16-30-22-13-7-18(8-14-22)15-17-5-9-20(10-6-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29).
What are the key properties of 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline?
2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline has a molecular weight of 393.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 10293984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).