4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile

C18H19N3 — CID 154287070

IUPAC4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc(NCc2ccc(C#N)cc2)c2c(n1)CCCC2
InChIInChI=1S/C18H19N3/c1-13-10-18(16-4-2-3-5-17(16)21-13)20-12-15-8-6-14(11-19)7-9-15/h6-10H,2-5,12H2,1H3,(H,20,21)
InChIKeyGYOXKBOYEJNOGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.75
Rot. Bonds3

About 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile

4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile (PubChem CID 154287070) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile
PubChem CID154287070
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc(NCc2ccc(C#N)cc2)c2c(n1)CCCC2
InChIInChI=1S/C18H19N3/c1-13-10-18(16-4-2-3-5-17(16)21-13)20-12-15-8-6-14(11-19)7-9-15/h6-10H,2-5,12H2,1H3,(H,20,21)
InChIKeyGYOXKBOYEJNOGG-UHFFFAOYSA-N
XLogP3.75
TPSA48.71 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethanol
CID 12798330
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
3-[(4-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 62103150
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
CID 23433967
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile (CID 154287070) is 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile is Cc1cc(NCc2ccc(C#N)cc2)c2c(n1)CCCC2.
What is the InChIKey of 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile?
The InChIKey is GYOXKBOYEJNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-10-18(16-4-2-3-5-17(16)21-13)20-12-15-8-6-14(11-19)7-9-15/h6-10H,2-5,12H2,1H3,(H,20,21).
What are the key properties of 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile?
4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 154287070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).