2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline

C27H24N4O — CID 21014266

IUPAC2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline
SMILESCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C27H24N4O/c1-19(22-8-5-9-23(16-22)27-17-28-31-30-27)14-20-6-4-10-25(15-20)32-18-24-13-12-21-7-2-3-11-26(21)29-24/h2-13,15-17,19H,14,18H2,1H3,(H,28,30,31)
InChIKeyDDQGIVNOGBOALR-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.95
Rot. Bonds7

About 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline

2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline (PubChem CID 21014266) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline
PubChem CID21014266
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline
SMILESCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C27H24N4O/c1-19(22-8-5-9-23(16-22)27-17-28-31-30-27)14-20-6-4-10-25(15-20)32-18-24-13-12-21-7-2-3-11-26(21)29-24/h2-13,15-17,19H,14,18H2,1H3,(H,28,30,31)
InChIKeyDDQGIVNOGBOALR-UHFFFAOYSA-N
XLogP5.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

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-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
2-[[3-[2-benzyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750527
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
2-[[3-[1-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 19808918
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline (CID 21014266) is 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline is CC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline?
The InChIKey is DDQGIVNOGBOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-19(22-8-5-9-23(16-22)27-17-28-31-30-27)14-20-6-4-10-25(15-20)32-18-24-13-12-21-7-2-3-11-26(21)29-24/h2-13,15-17,19H,14,18H2,1H3,(H,28,30,31).
What are the key properties of 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline?
2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline has a molecular weight of 420.52 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[3-(2H-triazol-4-yl)phenyl]propyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 21014266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).