2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline

C26H20N6O — CID 10181217

IUPAC2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
SMILESc1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H20N6O/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26/h1-15H,16-17H2,(H,28,29,30,31)
InChIKeyHLYVFJYPNMNANV-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.00
Rot. Bonds6

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

2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline (PubChem CID 10181217) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
PubChem CID10181217
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline
SMILESc1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H20N6O/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26/h1-15H,16-17H2,(H,28,29,30,31)
InChIKeyHLYVFJYPNMNANV-UHFFFAOYSA-N
XLogP5.00
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline with MolForge

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Related Compounds

Diaplasinin
CID 6450820
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
2-{4-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9932067
2-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-quinoline
CID 9948371
2-{4-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10114090
2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-vinyl}-phenoxymethyl)-quinoline
CID 10222948
2-{4-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10223216
2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-ethyl}-phenoxymethyl)-quinoline
CID 10294833
1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole
CID 11271167
1-(2,2-dimethylpropyl)-4-propyl-5-[[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]indole
CID 11951099
1-(2,2-Dimethyl-propyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951447
1-(2,2-Dimethyl-propyl)-4-propyl-5-{3-[4-(1H-tetrazol-5-yl)-phenoxy]-benzyloxy}-1H-indole
CID 11951449

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The IUPAC name of 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline (CID 10181217) is 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline.
What is the SMILES notation for 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The canonical SMILES for 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline is c1cc(Cn2ccc3cc(OCc4ccc5ccccc5n4)ccc32)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
The InChIKey is HLYVFJYPNMNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-2-7-24-19(5-1)8-9-22(27-24)17-33-23-10-11-25-20(15-23)12-13-32(25)16-18-4-3-6-21(14-18)26-28-30-31-29-26/h1-15H,16-17H2,(H,28,29,30,31).
What are the key properties of 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline?
2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline has a molecular weight of 432.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline is sourced from PubChem (CID 10181217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).