2-methyl-4-quinolin-5-yloxybenzonitrile

C17H12N2O — CID 103044749

IUPAC2-methyl-4-quinolin-5-yloxybenzonitrile
SMILESCc1cc(Oc2cccc3ncccc23)ccc1C#N
InChIInChI=1S/C17H12N2O/c1-12-10-14(8-7-13(12)11-18)20-17-6-2-5-16-15(17)4-3-9-19-16/h2-10H,1H3
InChIKeyBLTZNEKNBOUFMF-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.21
Rot. Bonds2

About 2-methyl-4-quinolin-5-yloxybenzonitrile

2-methyl-4-quinolin-5-yloxybenzonitrile (PubChem CID 103044749) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-4-quinolin-5-yloxybenzonitrile.

Molecular Properties

Compound Name2-methyl-4-quinolin-5-yloxybenzonitrile
PubChem CID103044749
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-methyl-4-quinolin-5-yloxybenzonitrile
SMILESCc1cc(Oc2cccc3ncccc23)ccc1C#N
InChIInChI=1S/C17H12N2O/c1-12-10-14(8-7-13(12)11-18)20-17-6-2-5-16-15(17)4-3-9-19-16/h2-10H,1H3
InChIKeyBLTZNEKNBOUFMF-UHFFFAOYSA-N
XLogP4.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326
5-(4-methoxyphenoxy)quinoline
CID 122457274
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
6-quinolin-5-yloxypyridine-2-carbonitrile
CID 103044723
5-pyridin-4-yloxyquinoline
CID 91445201
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
CID 43669207
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
4-(3-methylphenoxy)quinoline
CID 12798303
3-chloro-4-quinolin-5-yloxybenzonitrile
CID 103044737
2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
CID 106485293
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-quinolin-5-yloxybenzonitrile?
The IUPAC name of 2-methyl-4-quinolin-5-yloxybenzonitrile (CID 103044749) is 2-methyl-4-quinolin-5-yloxybenzonitrile.
What is the SMILES notation for 2-methyl-4-quinolin-5-yloxybenzonitrile?
The canonical SMILES for 2-methyl-4-quinolin-5-yloxybenzonitrile is Cc1cc(Oc2cccc3ncccc23)ccc1C#N.
What is the InChIKey of 2-methyl-4-quinolin-5-yloxybenzonitrile?
The InChIKey is BLTZNEKNBOUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-12-10-14(8-7-13(12)11-18)20-17-6-2-5-16-15(17)4-3-9-19-16/h2-10H,1H3.
What are the key properties of 2-methyl-4-quinolin-5-yloxybenzonitrile?
2-methyl-4-quinolin-5-yloxybenzonitrile has a molecular weight of 260.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-quinolin-5-yloxybenzonitrile is sourced from PubChem (CID 103044749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).