8-(2,4-dimethoxypyrimidin-5-yl)quinoline

C15H13N3O2 — CID 39749827

IUPAC8-(2,4-dimethoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cccc3cccnc23)c(OC)n1
InChIInChI=1S/C15H13N3O2/c1-19-14-12(9-17-15(18-14)20-2)11-7-3-5-10-6-4-8-16-13(10)11/h3-9H,1-2H3
InChIKeyNAGOYSMBUZCXLL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds3

About 8-(2,4-dimethoxypyrimidin-5-yl)quinoline

8-(2,4-dimethoxypyrimidin-5-yl)quinoline (PubChem CID 39749827) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-(2,4-dimethoxypyrimidin-5-yl)quinoline.

Molecular Properties

Compound Name8-(2,4-dimethoxypyrimidin-5-yl)quinoline
PubChem CID39749827
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name8-(2,4-dimethoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cccc3cccnc23)c(OC)n1
InChIInChI=1S/C15H13N3O2/c1-19-14-12(9-17-15(18-14)20-2)11-7-3-5-10-6-4-8-16-13(10)11/h3-9H,1-2H3
InChIKeyNAGOYSMBUZCXLL-UHFFFAOYSA-N
XLogP2.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-quinolin-8-yl-1,3,5-triazin-2-amine
CID 81221199
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(2,4-dimethoxypyrimidin-5-yl)-[1,2,4]triazolo[1,5-b]pyridazine
CID 167436310
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
CID 63967860
3-methoxy-6-quinolin-8-ylpyridin-2-amine
CID 82556280
5-(2,5-dimethyl-1H-pyrrol-3-yl)-2,4-dimethoxypyrimidine
CID 142260902
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide
CID 25183559
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxypyrimidin-5-yl)quinoline?
The IUPAC name of 8-(2,4-dimethoxypyrimidin-5-yl)quinoline (CID 39749827) is 8-(2,4-dimethoxypyrimidin-5-yl)quinoline.
What is the SMILES notation for 8-(2,4-dimethoxypyrimidin-5-yl)quinoline?
The canonical SMILES for 8-(2,4-dimethoxypyrimidin-5-yl)quinoline is COc1ncc(-c2cccc3cccnc23)c(OC)n1.
What is the InChIKey of 8-(2,4-dimethoxypyrimidin-5-yl)quinoline?
The InChIKey is NAGOYSMBUZCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-14-12(9-17-15(18-14)20-2)11-7-3-5-10-6-4-8-16-13(10)11/h3-9H,1-2H3.
What are the key properties of 8-(2,4-dimethoxypyrimidin-5-yl)quinoline?
8-(2,4-dimethoxypyrimidin-5-yl)quinoline has a molecular weight of 267.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxypyrimidin-5-yl)quinoline is sourced from PubChem (CID 39749827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).