2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile

C20H15N3 — CID 102429649

IUPAC2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
SMILESN#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H15N3/c21-13-17(14-22)19(15-6-2-1-3-7-15)12-18-11-10-16-8-4-5-9-20(16)23-18/h1-11,17,19H,12H2
InChIKeyNWZAPOBJLPCWRW-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.22
Rot. Bonds4

About 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile

2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile (PubChem CID 102429649) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile.

Molecular Properties

Compound Name2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
PubChem CID102429649
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
SMILESN#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H15N3/c21-13-17(14-22)19(15-6-2-1-3-7-15)12-18-11-10-16-8-4-5-9-20(16)23-18/h1-11,17,19H,12H2
InChIKeyNWZAPOBJLPCWRW-UHFFFAOYSA-N
XLogP4.22
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile?
The IUPAC name of 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile (CID 102429649) is 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile.
What is the SMILES notation for 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile?
The canonical SMILES for 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile is N#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile?
The InChIKey is NWZAPOBJLPCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c21-13-17(14-22)19(15-6-2-1-3-7-15)12-18-11-10-16-8-4-5-9-20(16)23-18/h1-11,17,19H,12H2.
What are the key properties of 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile?
2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile has a molecular weight of 297.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile is sourced from PubChem (CID 102429649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).