2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile

C17H13N3O — CID 81060623

IUPAC2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
SMILESCc1cc(Oc2cccc3cccnc23)c(C#N)c(C)n1
InChIInChI=1S/C17H13N3O/c1-11-9-16(14(10-18)12(2)20-11)21-15-7-3-5-13-6-4-8-19-17(13)15/h3-9H,1-2H3
InChIKeyFEVNORLLNVZFAZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.91
Rot. Bonds2

About 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile

2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile (PubChem CID 81060623) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
PubChem CID81060623
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
SMILESCc1cc(Oc2cccc3cccnc23)c(C#N)c(C)n1
InChIInChI=1S/C17H13N3O/c1-11-9-16(14(10-18)12(2)20-11)21-15-7-3-5-13-6-4-8-19-17(13)15/h3-9H,1-2H3
InChIKeyFEVNORLLNVZFAZ-UHFFFAOYSA-N
XLogP3.91
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447
5-chloro-2-quinolin-8-yloxybenzonitrile
CID 62493064
4-bromo-2-quinolin-8-yloxybenzonitrile
CID 114902395
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
(6-methyl-4-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 81251012
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 81061272
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442879
4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 81059931
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
CID 81061226
4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 107098249

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile (CID 81060623) is 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile is Cc1cc(Oc2cccc3cccnc23)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile?
The InChIKey is FEVNORLLNVZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-9-16(14(10-18)12(2)20-11)21-15-7-3-5-13-6-4-8-19-17(13)15/h3-9H,1-2H3.
What are the key properties of 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile?
2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 81060623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).