4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile

C22H22N4 — CID 23433967

IUPAC4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
SMILESCc1cc(N2CCCC2)c2ccc(NCc3ccc(C#N)cc3)cc2n1
InChIInChI=1S/C22H22N4/c1-16-12-22(26-10-2-3-11-26)20-9-8-19(13-21(20)25-16)24-15-18-6-4-17(14-23)5-7-18/h4-9,12-13,24H,2-3,10-11,15H2,1H3
InChIKeyZZTDMOUZANJDBX-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.63
Rot. Bonds4

About 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile

4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile (PubChem CID 23433967) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
PubChem CID23433967
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile
SMILESCc1cc(N2CCCC2)c2ccc(NCc3ccc(C#N)cc3)cc2n1
InChIInChI=1S/C22H22N4/c1-16-12-22(26-10-2-3-11-26)20-9-8-19(13-21(20)25-16)24-15-18-6-4-17(14-23)5-7-18/h4-9,12-13,24H,2-3,10-11,15H2,1H3
InChIKeyZZTDMOUZANJDBX-UHFFFAOYSA-N
XLogP4.63
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-7-amine
CID 69285284
4-[[[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]amino]methyl]benzonitrile
CID 25116798
N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 23433978
N-[(2-methoxyphenyl)methyl]-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 10236941
4-[(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxymethyl]benzonitrile
CID 22641412
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22054474
5-[(4-cyanophenyl)methylamino]-2-(4-hydroxypiperidin-1-yl)benzonitrile
CID 111469495
4-cyano-N-[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]benzamide
CID 23433948
4-[[4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 10177357

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile (CID 23433967) is 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile is Cc1cc(N2CCCC2)c2ccc(NCc3ccc(C#N)cc3)cc2n1.
What is the InChIKey of 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile?
The InChIKey is ZZTDMOUZANJDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-16-12-22(26-10-2-3-11-26)20-9-8-19(13-21(20)25-16)24-15-18-6-4-17(14-23)5-7-18/h4-9,12-13,24H,2-3,10-11,15H2,1H3.
What are the key properties of 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile?
4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile has a molecular weight of 342.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 23433967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).