4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline

C19H16N4O — CID 67473010

IUPAC4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline
SMILESCc1ccc(-n2cc(COc3ccnc4ccccc34)nn2)cc1
InChIInChI=1S/C19H16N4O/c1-14-6-8-16(9-7-14)23-12-15(21-22-23)13-24-19-10-11-20-18-5-3-2-4-17(18)19/h2-12H,13H2,1H3
InChIKeyHCBWTZNBYOPQDF-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.70
Rot. Bonds4

About 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline

4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline (PubChem CID 67473010) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline.

Molecular Properties

Compound Name4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline
PubChem CID67473010
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline
SMILESCc1ccc(-n2cc(COc3ccnc4ccccc34)nn2)cc1
InChIInChI=1S/C19H16N4O/c1-14-6-8-16(9-7-14)23-12-15(21-22-23)13-24-19-10-11-20-18-5-3-2-4-17(18)19/h2-12H,13H2,1H3
InChIKeyHCBWTZNBYOPQDF-UHFFFAOYSA-N
XLogP3.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline?
The IUPAC name of 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline (CID 67473010) is 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline.
What is the SMILES notation for 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline?
The canonical SMILES for 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline is Cc1ccc(-n2cc(COc3ccnc4ccccc34)nn2)cc1.
What is the InChIKey of 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline?
The InChIKey is HCBWTZNBYOPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-6-8-16(9-7-14)23-12-15(21-22-23)13-24-19-10-11-20-18-5-3-2-4-17(18)19/h2-12H,13H2,1H3.
What are the key properties of 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline?
4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline has a molecular weight of 316.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylphenyl)triazol-4-yl]methoxy]quinoline is sourced from PubChem (CID 67473010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).