3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile

C18H19N3 — CID 62097365

IUPAC3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
SMILESCN1CCCc2cc(CNc3cccc(C#N)c3)ccc21
InChIInChI=1S/C18H19N3/c1-21-9-3-5-16-10-15(7-8-18(16)21)13-20-17-6-2-4-14(11-17)12-19/h2,4,6-8,10-11,20H,3,5,9,13H2,1H3
InChIKeyHLIYLGOFWQMXAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.55
Rot. Bonds3

About 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile

3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile (PubChem CID 62097365) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
PubChem CID62097365
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
SMILESCN1CCCc2cc(CNc3cccc(C#N)c3)ccc21
InChIInChI=1S/C18H19N3/c1-21-9-3-5-16-10-15(7-8-18(16)21)13-20-17-6-2-4-14(11-17)12-19/h2,4,6-8,10-11,20H,3,5,9,13H2,1H3
InChIKeyHLIYLGOFWQMXAY-UHFFFAOYSA-N
XLogP3.55
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethynyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62072233
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232132

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile?
The IUPAC name of 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile (CID 62097365) is 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile.
What is the SMILES notation for 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile?
The canonical SMILES for 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile is CN1CCCc2cc(CNc3cccc(C#N)c3)ccc21.
What is the InChIKey of 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile?
The InChIKey is HLIYLGOFWQMXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21-9-3-5-16-10-15(7-8-18(16)21)13-20-17-6-2-4-14(11-17)12-19/h2,4,6-8,10-11,20H,3,5,9,13H2,1H3.
What are the key properties of 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile?
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile is sourced from PubChem (CID 62097365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).