1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium

C14H13N4O2+ — CID 156770604

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium
SMILESCOc1nc(OC)nc(-[n+]2cccc3ccccc32)n1
InChIInChI=1S/C14H13N4O2/c1-19-13-15-12(16-14(17-13)20-2)18-9-5-7-10-6-3-4-8-11(10)18/h3-9H,1-2H3/q+1
InChIKeyYLUIXIXBVZXFGG-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.32
Rot. Bonds3

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium (PubChem CID 156770604) has the molecular formula C14H13N4O2+ and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium
PubChem CID156770604
Molecular FormulaC14H13N4O2+
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium
SMILESCOc1nc(OC)nc(-[n+]2cccc3ccccc32)n1
InChIInChI=1S/C14H13N4O2/c1-19-13-15-12(16-14(17-13)20-2)18-9-5-7-10-6-3-4-8-11(10)18/h3-9H,1-2H3/q+1
InChIKeyYLUIXIXBVZXFGG-UHFFFAOYSA-N
XLogP1.32
TPSA61.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 9210
CID 9210
CID 667555
CID 667555
CID 519332
CID 519332
CID 262952
CID 262952
CID 5328017
CID 5328017
CID 10267580
CID 10267580
CID 921562
CID 921562
CID 12354256
CID 12354256
CID 44820374
CID 44820374
CID 3056069
CID 3056069
CID 5328051
CID 5328051
CID 5328073
CID 5328073

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium (CID 156770604) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium is COc1nc(OC)nc(-[n+]2cccc3ccccc32)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium?
The InChIKey is YLUIXIXBVZXFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N4O2/c1-19-13-15-12(16-14(17-13)20-2)18-9-5-7-10-6-3-4-8-11(10)18/h3-9H,1-2H3/q+1.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium has a molecular weight of 269.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinolin-1-ium is sourced from PubChem (CID 156770604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).