7-(dimethylamino)isoquinoline-1-carbonitrile

C12H11N3 — CID 82571507

IUPAC7-(dimethylamino)isoquinoline-1-carbonitrile
SMILESCN(C)c1ccc2ccnc(C#N)c2c1
InChIInChI=1S/C12H11N3/c1-15(2)10-4-3-9-5-6-14-12(8-13)11(9)7-10/h3-7H,1-2H3
InChIKeyDYPZJPHETWUVCU-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.17
Rot. Bonds1

About 7-(dimethylamino)isoquinoline-1-carbonitrile

7-(dimethylamino)isoquinoline-1-carbonitrile (PubChem CID 82571507) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 7-(dimethylamino)isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name7-(dimethylamino)isoquinoline-1-carbonitrile
PubChem CID82571507
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name7-(dimethylamino)isoquinoline-1-carbonitrile
SMILESCN(C)c1ccc2ccnc(C#N)c2c1
InChIInChI=1S/C12H11N3/c1-15(2)10-4-3-9-5-6-14-12(8-13)11(9)7-10/h3-7H,1-2H3
InChIKeyDYPZJPHETWUVCU-UHFFFAOYSA-N
XLogP2.17
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

formaldehyde;6-[methyl(pentan-2-yl)amino]isoquinoline-1-carbonitrile
CID 144639160
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
N,N-dimethylisoquinolin-7-amine
CID 82572114
4-methoxy-N,N-dimethylquinolin-6-amine
CID 157042980
3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742
N,N-dimethyl-2-propylpyridin-4-amine
CID 154100065
6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
CID 142527643
6-[[(2S)-1-hydroxybutan-2-yl]amino]isoquinoline-1-carbonitrile
CID 125482349
4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
CID 62925124
1-N,1-N,7-N-trimethylisoquinoline-1,7-diamine
CID 82572766
6-[[(2R)-3-hydroxy-2-methylpropyl]amino]isoquinoline-1-carbonitrile
CID 129387206

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)isoquinoline-1-carbonitrile?
The IUPAC name of 7-(dimethylamino)isoquinoline-1-carbonitrile (CID 82571507) is 7-(dimethylamino)isoquinoline-1-carbonitrile.
What is the SMILES notation for 7-(dimethylamino)isoquinoline-1-carbonitrile?
The canonical SMILES for 7-(dimethylamino)isoquinoline-1-carbonitrile is CN(C)c1ccc2ccnc(C#N)c2c1.
What is the InChIKey of 7-(dimethylamino)isoquinoline-1-carbonitrile?
The InChIKey is DYPZJPHETWUVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15(2)10-4-3-9-5-6-14-12(8-13)11(9)7-10/h3-7H,1-2H3.
What are the key properties of 7-(dimethylamino)isoquinoline-1-carbonitrile?
7-(dimethylamino)isoquinoline-1-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)isoquinoline-1-carbonitrile is sourced from PubChem (CID 82571507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).