2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline

C23H24N4O — CID 20597850

IUPAC2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline
SMILESCC(CCc1ncn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(6-13-23-24-16-25-27-23)14-18-7-11-21(12-8-18)28-15-20-10-9-19-4-2-3-5-22(19)26-20/h2-5,7-12,16-17H,6,13-15H2,1H3,(H,24,25,27)
InChIKeyNMOOUPBAILFJKT-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.74
Rot. Bonds8

About 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline

2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline (PubChem CID 20597850) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline
PubChem CID20597850
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline
SMILESCC(CCc1ncn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(6-13-23-24-16-25-27-23)14-18-7-11-21(12-8-18)28-15-20-10-9-19-4-2-3-5-22(19)26-20/h2-5,7-12,16-17H,6,13-15H2,1H3,(H,24,25,27)
InChIKeyNMOOUPBAILFJKT-UHFFFAOYSA-N
XLogP4.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-[[4-[4-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]quinoline
CID 14750540
2-[[4-(4-methoxybutyl)phenoxy]methyl]quinoline
CID 21280545
2-[[4-[1-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenoxy]methyl]quinoline
CID 14995132
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 141069718
O-[2-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 11793527
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline (CID 20597850) is 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline is CC(CCc1ncn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline?
The InChIKey is NMOOUPBAILFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17(6-13-23-24-16-25-27-23)14-18-7-11-21(12-8-18)28-15-20-10-9-19-4-2-3-5-22(19)26-20/h2-5,7-12,16-17H,6,13-15H2,1H3,(H,24,25,27).
What are the key properties of 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline?
2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline has a molecular weight of 372.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 20597850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).