6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane

C22H27N3 — CID 142527643

IUPAC6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
SMILESCC.CC.CN(C)c1ccc(-c2ccc3nccc(C#N)c3c2)cc1
InChIInChI=1S/C18H15N3.2C2H6/c1-21(2)16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(12-19)9-10-20-18;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyODPHNBCAXNYBHF-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.89
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane

6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane (PubChem CID 142527643) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
PubChem CID142527643
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
SMILESCC.CC.CN(C)c1ccc(-c2ccc3nccc(C#N)c3c2)cc1
InChIInChI=1S/C18H15N3.2C2H6/c1-21(2)16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(12-19)9-10-20-18;2*1-2/h3-11H,1-2H3;2*1-2H3
InChIKeyODPHNBCAXNYBHF-UHFFFAOYSA-N
XLogP5.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
CID 6052008
6-[3-[[4-cyano-6-[4-(dimethylamino)phenyl]quinolin-3-yl]methyl]-4-(dimethylamino)phenyl]quinoline-4-carboxylic acid
CID 154939298
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
2-[4-(dimethylamino)phenyl]-N,N-dimethylpyridin-4-amine
CID 54101917
6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile
CID 144880701
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283
[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 137490276
4-methoxy-N,N-dimethylquinolin-6-amine
CID 157042980
N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 3233864
7-(dimethylamino)isoquinoline-1-carbonitrile
CID 82571507
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
CID 3234272

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane?
The IUPAC name of 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane (CID 142527643) is 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane is CC.CC.CN(C)c1ccc(-c2ccc3nccc(C#N)c3c2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane?
The InChIKey is ODPHNBCAXNYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3.2C2H6/c1-21(2)16-6-3-13(4-7-16)14-5-8-18-17(11-14)15(12-19)9-10-20-18;2*1-2/h3-11H,1-2H3;2*1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane?
6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane has a molecular weight of 333.48 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane is sourced from PubChem (CID 142527643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).