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

C25H20N4O2 — CID 18727389

IUPAC2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2cccc(-c3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H20N4O2/c1-2-10-24-19(6-1)11-12-21(28-24)16-31-23-9-4-8-22(14-23)30-15-18-5-3-7-20(13-18)25-26-17-27-29-25/h1-14,17H,15-16H2,(H,26,27,29)
InChIKeySNZHGGWDGWRLSI-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.18
Rot. Bonds7

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

2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 18727389) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
PubChem CID18727389
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
SMILESc1cc(OCc2cccc(-c3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H20N4O2/c1-2-10-24-19(6-1)11-12-21(28-24)16-31-23-9-4-8-22(14-23)30-15-18-5-3-7-20(13-18)25-26-17-27-29-25/h1-14,17H,15-16H2,(H,26,27,29)
InChIKeySNZHGGWDGWRLSI-UHFFFAOYSA-N
XLogP5.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

RG 7152
CID 129968
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-morpholin-4-ylquinazolin-4-amine
CID 127047232
2-{3-[4-(1H-Tetrazol-5-yl)-butoxy]-phenoxymethyl}-quinoline
CID 9820984
2-{3-Methyl-5-[3-(1H-tetrazol-5-yl)-propoxy]-phenoxymethyl}-quinoline
CID 9885950
2-{3-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9888538
2-{3-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 9888539
2-{3-[4-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10114089
2-{3-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10158417
2-{3-[2-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10158418
2-{3-[4-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10158419
2-{3-[4-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenoxymethyl}-quinoline
CID 10202522
2-{3-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-phenoxymethyl}-quinoline
CID 10203560

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 18727389) is 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is c1cc(OCc2cccc(-c3ncn[nH]3)c2)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
The InChIKey is SNZHGGWDGWRLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-2-10-24-19(6-1)11-12-21(28-24)16-31-23-9-4-8-22(14-23)30-15-18-5-3-7-20(13-18)25-26-17-27-29-25/h1-14,17H,15-16H2,(H,26,27,29).
What are the key properties of 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline?
2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 408.46 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 18727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).