2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline

C26H23N5O — CID 14995132

IUPAC2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
SMILESCC(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H23N5O/c1-18(16-19-6-8-22(9-7-19)26-28-30-31-29-26)20-11-14-24(15-12-20)32-17-23-13-10-21-4-2-3-5-25(21)27-23/h2-15,18H,16-17H2,1H3,(H,28,29,30,31)
InChIKeyVRDXKQKCMJXOIU-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.34
Rot. Bonds7

About 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline

2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline (PubChem CID 14995132) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
PubChem CID14995132
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
SMILESCC(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H23N5O/c1-18(16-19-6-8-22(9-7-19)26-28-30-31-29-26)20-11-14-24(15-12-20)32-17-23-13-10-21-4-2-3-5-25(21)27-23/h2-15,18H,16-17H2,1H3,(H,28,29,30,31)
InChIKeyVRDXKQKCMJXOIU-UHFFFAOYSA-N
XLogP5.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
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
methane;2-[[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]oxymethyl]quinoline;2-[[4-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 161391217
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[[4-[[2-methyl-6-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616083
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[4-[[3-[4-(2H-tetrazol-5-yl)butan-2-yl]phenyl]methyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]sulfanylmethyl]quinoline;2-[[3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]phenyl]sulfanylmethyl]quinoline
CID 160921539
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
2-[[4-[1-phenyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750546
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 21014266

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline (CID 14995132) is 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline is CC(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline?
The InChIKey is VRDXKQKCMJXOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18(16-19-6-8-22(9-7-19)26-28-30-31-29-26)20-11-14-24(15-12-20)32-17-23-13-10-21-4-2-3-5-25(21)27-23/h2-15,18H,16-17H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline?
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline has a molecular weight of 421.50 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 14995132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).