2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile

C16H18N2O — CID 59393067

IUPAC2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile
SMILESCOc1nc2cc(C(C)C#N)ccc2cc1C(C)C
InChIInChI=1S/C16H18N2O/c1-10(2)14-7-13-6-5-12(11(3)9-17)8-15(13)18-16(14)19-4/h5-8,10-11H,1-4H3
InChIKeyJKIOHONQTYJAPY-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile

2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile (PubChem CID 59393067) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile
PubChem CID59393067
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile
SMILESCOc1nc2cc(C(C)C#N)ccc2cc1C(C)C
InChIInChI=1S/C16H18N2O/c1-10(2)14-7-13-6-5-12(11(3)9-17)8-15(13)18-16(14)19-4/h5-8,10-11H,1-4H3
InChIKeyJKIOHONQTYJAPY-UHFFFAOYSA-N
XLogP3.99
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile?
The IUPAC name of 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile (CID 59393067) is 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile.
What is the SMILES notation for 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile?
The canonical SMILES for 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile is COc1nc2cc(C(C)C#N)ccc2cc1C(C)C.
What is the InChIKey of 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile?
The InChIKey is JKIOHONQTYJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10(2)14-7-13-6-5-12(11(3)9-17)8-15(13)18-16(14)19-4/h5-8,10-11H,1-4H3.
What are the key properties of 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile?
2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile has a molecular weight of 254.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile is sourced from PubChem (CID 59393067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).