2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline

C26H22N4O3 — CID 18727387

IUPAC2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ncn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H22N4O3/c1-31-24-12-10-20(26-27-17-28-30-26)14-25(24)33-15-18-5-4-7-22(13-18)32-16-21-11-9-19-6-2-3-8-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30)
InChIKeyXQTUTSLLJIUFSS-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.19
Rot. Bonds8

About 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline

2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 18727387) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
PubChem CID18727387
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ncn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H22N4O3/c1-31-24-12-10-20(26-27-17-28-30-26)14-25(24)33-15-18-5-4-7-22(13-18)32-16-21-11-9-19-6-2-3-8-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30)
InChIKeyXQTUTSLLJIUFSS-UHFFFAOYSA-N
XLogP5.19
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(3,4-Dimethoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135489150
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426
(6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-[1,2,4]triazol-3-yl)-phenyl]-amine
CID 10215809
2-{4-[2-Methoxy-4-(1H-tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 10225194
2-{3-[2-Methoxy-4-(1H-tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 15015299
2-{3-[4-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 15015300
2-{2-[3-(1H-Tetrazol-5-yl)-propoxy]-phenoxymethyl}-quinoline
CID 14501729
6,7-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 17942760
6,7-Dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
CID 25064511
4-[[6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 57691308
6,7-dimethoxy-1-propyl-4-[[8-(2H-tetrazol-5-ylmethoxy)quinolin-2-yl]methyl]isoquinoline
CID 74539937
1-ethyl-6,7-dimethoxy-4-[[8-(2H-tetrazol-5-ylmethoxy)quinolin-2-yl]methyl]isoquinoline
CID 90117647

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 18727387) is 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is COc1ccc(-c2ncn[nH]2)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The InChIKey is XQTUTSLLJIUFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-31-24-12-10-20(26-27-17-28-30-26)14-25(24)33-15-18-5-4-7-22(13-18)32-16-21-11-9-19-6-2-3-8-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30).
What are the key properties of 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline has a molecular weight of 438.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 18727387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).