2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile

C26H20N6O — CID 57011234

IUPAC2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccc(C#N)cc2n1
InChIInChI=1S/C26H20N6O/c1-2-20-14-25(22-11-8-17(15-27)13-24(22)28-20)33-16-18-9-10-21(19-6-4-3-5-7-19)23(12-18)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)
InChIKeyXBZJXHXCWHZTRK-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.09
Rot. Bonds6

About 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile

2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile (PubChem CID 57011234) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
PubChem CID57011234
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccc(C#N)cc2n1
InChIInChI=1S/C26H20N6O/c1-2-20-14-25(22-11-8-17(15-27)13-24(22)28-20)33-16-18-9-10-21(19-6-4-3-5-7-19)23(12-18)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32)
InChIKeyXBZJXHXCWHZTRK-UHFFFAOYSA-N
XLogP5.09
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile with MolForge

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Related Compounds

2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
4-[5-[2-[4-[(2-ethylquinolin-4-yl)oxymethyl]phenyl]phenyl]tetrazol-1-yl]benzonitrile
CID 19935782
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile?
The IUPAC name of 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile (CID 57011234) is 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile.
What is the SMILES notation for 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile?
The canonical SMILES for 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile is CCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c2ccc(C#N)cc2n1.
What is the InChIKey of 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile?
The InChIKey is XBZJXHXCWHZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-2-20-14-25(22-11-8-17(15-27)13-24(22)28-20)33-16-18-9-10-21(19-6-4-3-5-7-19)23(12-18)26-29-31-32-30-26/h3-14H,2,16H2,1H3,(H,29,30,31,32).
What are the key properties of 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile?
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile has a molecular weight of 432.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile is sourced from PubChem (CID 57011234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).