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

C26H22N4O3 — CID 21014280

IUPAC2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ncn[nH]2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H22N4O3/c1-31-24-13-9-20(26-27-17-28-30-26)14-25(24)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30)
InChIKeyWTEQGQVBEVECHQ-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.19
Rot. Bonds8

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

2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (PubChem CID 21014280) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
PubChem CID21014280
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
SMILESCOc1ccc(-c2ncn[nH]2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H22N4O3/c1-31-24-13-9-20(26-27-17-28-30-26)14-25(24)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30)
InChIKeyWTEQGQVBEVECHQ-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-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline with MolForge

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Related Compounds

(6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-[1,2,4]triazol-3-yl)-phenyl]-amine
CID 10215809
2-{4-[4-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 10223215
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
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-N-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)quinazolin-4-amine
CID 137647416
1-[3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]-3-[3-(2-ethoxypropan-2-yl)-1-phenyl-1H-pyrazol-5-yl]urea
CID 44242856
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 127046274
4-(5-(3,4-diethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 25110284
4-[[5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578677
2-(trifluoromethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]methoxy]quinazoline
CID 86578795

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline (CID 21014280) is 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is COc1ccc(-c2ncn[nH]2)cc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
The InChIKey is WTEQGQVBEVECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-31-24-13-9-20(26-27-17-28-30-26)14-25(24)33-15-18-6-11-22(12-7-18)32-16-21-10-8-19-4-2-3-5-23(19)29-21/h2-14,17H,15-16H2,1H3,(H,27,28,30).
What are the key properties of 2-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline?
2-[[4-[[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-[[4-[[2-methoxy-5-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 21014280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).