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

C12H11N3 — CID 84619490

IUPAC8-methyl-2-(methylamino)quinoline-3-carbonitrile
SMILESCNc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C12H11N3/c1-8-4-3-5-9-6-10(7-13)12(14-2)15-11(8)9/h3-6H,1-2H3,(H,14,15)
InChIKeyKNPCJRWXEWTXKV-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.46
Rot. Bonds1

About 8-methyl-2-(methylamino)quinoline-3-carbonitrile

8-methyl-2-(methylamino)quinoline-3-carbonitrile (PubChem CID 84619490) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 8-methyl-2-(methylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-2-(methylamino)quinoline-3-carbonitrile
PubChem CID84619490
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name8-methyl-2-(methylamino)quinoline-3-carbonitrile
SMILESCNc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C12H11N3/c1-8-4-3-5-9-6-10(7-13)12(14-2)15-11(8)9/h3-6H,1-2H3,(H,14,15)
InChIKeyKNPCJRWXEWTXKV-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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Related Compounds

N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 3513318
N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]-2,6-difluorobenzamide
CID 3297060
2-(cyanomethylsulfanyl)-8-methylquinoline-3-carbonitrile
CID 3141909
2,3-dimethylquinoline-8-carbonitrile
CID 174264832
7-methyl-2-(methylamino)quinoline-3-carbonitrile
CID 84619502
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 43813654
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-1-(4-fluorophenyl)urea
CID 45076687
8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile
CID 82233252
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51685218
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51685217
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile
CID 3207674
8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865136

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(methylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-methyl-2-(methylamino)quinoline-3-carbonitrile (CID 84619490) is 8-methyl-2-(methylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-methyl-2-(methylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-methyl-2-(methylamino)quinoline-3-carbonitrile is CNc1nc2c(C)cccc2cc1C#N.
What is the InChIKey of 8-methyl-2-(methylamino)quinoline-3-carbonitrile?
The InChIKey is KNPCJRWXEWTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-4-3-5-9-6-10(7-13)12(14-2)15-11(8)9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 8-methyl-2-(methylamino)quinoline-3-carbonitrile?
8-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 8-methyl-2-(methylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 84619490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).