7-methyl-2-(methylamino)quinoline-3-carbonitrile

C12H11N3 — CID 84619502

IUPAC7-methyl-2-(methylamino)quinoline-3-carbonitrile
SMILESCNc1nc2cc(C)ccc2cc1C#N
InChIInChI=1S/C12H11N3/c1-8-3-4-9-6-10(7-13)12(14-2)15-11(9)5-8/h3-6H,1-2H3,(H,14,15)
InChIKeyZTGOXWGIUUIULK-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.46
Rot. Bonds1

About 7-methyl-2-(methylamino)quinoline-3-carbonitrile

7-methyl-2-(methylamino)quinoline-3-carbonitrile (PubChem CID 84619502) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 7-methyl-2-(methylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methyl-2-(methylamino)quinoline-3-carbonitrile
PubChem CID84619502
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name7-methyl-2-(methylamino)quinoline-3-carbonitrile
SMILESCNc1nc2cc(C)ccc2cc1C#N
InChIInChI=1S/C12H11N3/c1-8-3-4-9-6-10(7-13)12(14-2)15-11(9)5-8/h3-6H,1-2H3,(H,14,15)
InChIKeyZTGOXWGIUUIULK-UHFFFAOYSA-N
XLogP2.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(methylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-methyl-2-(methylamino)quinoline-3-carbonitrile (CID 84619502) is 7-methyl-2-(methylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methyl-2-(methylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-methyl-2-(methylamino)quinoline-3-carbonitrile is CNc1nc2cc(C)ccc2cc1C#N.
What is the InChIKey of 7-methyl-2-(methylamino)quinoline-3-carbonitrile?
The InChIKey is ZTGOXWGIUUIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-3-4-9-6-10(7-13)12(14-2)15-11(9)5-8/h3-6H,1-2H3,(H,14,15).
What are the key properties of 7-methyl-2-(methylamino)quinoline-3-carbonitrile?
7-methyl-2-(methylamino)quinoline-3-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(methylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 84619502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).