2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile

C20H14ClN3 — CID 135027760

IUPAC2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
SMILESN#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3/c21-19-7-3-2-6-17(19)18(15(12-22)13-23)11-16-10-9-14-5-1-4-8-20(14)24-16/h1-10,15,18H,11H2
InChIKeyJXSAFJCVPSJYNS-UHFFFAOYSA-N
MW331.81 g/mol
LogP4.88
Rot. Bonds4

About 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile

2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile (PubChem CID 135027760) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
PubChem CID135027760
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
SMILESN#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3/c21-19-7-3-2-6-17(19)18(15(12-22)13-23)11-16-10-9-14-5-1-4-8-20(14)24-16/h1-10,15,18H,11H2
InChIKeyJXSAFJCVPSJYNS-UHFFFAOYSA-N
XLogP4.88
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
CID 102429649
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
ethyl (2S)-2-cyano-3-quinolin-2-ylpropanoate
CID 98041403
CID 89210421
CID 89210421
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile?
The IUPAC name of 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile (CID 135027760) is 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile?
The canonical SMILES for 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile is N#CC(C#N)C(Cc1ccc2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile?
The InChIKey is JXSAFJCVPSJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-19-7-3-2-6-17(19)18(15(12-22)13-23)11-16-10-9-14-5-1-4-8-20(14)24-16/h1-10,15,18H,11H2.
What are the key properties of 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile?
2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile has a molecular weight of 331.81 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile is sourced from PubChem (CID 135027760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).