8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline

C14H12N4O2 — CID 39796801

IUPAC8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCOc1nc(OC)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C14H12N4O2/c1-19-13-16-12(17-14(18-13)20-2)10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,1-2H3
InChIKeyODHPJEPTJATUJB-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.10
Rot. Bonds3

About 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline

8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline (PubChem CID 39796801) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline
PubChem CID39796801
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline
SMILESCOc1nc(OC)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C14H12N4O2/c1-19-13-16-12(17-14(18-13)20-2)10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,1-2H3
InChIKeyODHPJEPTJATUJB-UHFFFAOYSA-N
XLogP2.10
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline (CID 39796801) is 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline is COc1nc(OC)nc(-c2cccc3cccnc23)n1.
What is the InChIKey of 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline?
The InChIKey is ODHPJEPTJATUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-19-13-16-12(17-14(18-13)20-2)10-7-3-5-9-6-4-8-15-11(9)10/h3-8H,1-2H3.
What are the key properties of 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline?
8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline has a molecular weight of 268.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethoxy-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 39796801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).