2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile

C23H24N4O — CID 56702172

IUPAC2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cccc2cc(CN3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c12
InChIInChI=1S/C23H24N4O/c1-17-5-4-8-18-13-21(23(28)25-22(17)18)16-27-11-9-26(10-12-27)15-20-7-3-2-6-19(20)14-24/h2-8,13H,9-12,15-16H2,1H3,(H,25,28)
InChIKeyZAPSHPPDCFGIIQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.03
Rot. Bonds4

About 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile

2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 56702172) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
PubChem CID56702172
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCc1cccc2cc(CN3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c12
InChIInChI=1S/C23H24N4O/c1-17-5-4-8-18-13-21(23(28)25-22(17)18)16-27-11-9-26(10-12-27)15-20-7-3-2-6-19(20)14-24/h2-8,13H,9-12,15-16H2,1H3,(H,25,28)
InChIKeyZAPSHPPDCFGIIQ-UHFFFAOYSA-N
XLogP3.03
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
8-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 91782616
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
2-[(4-sulfanylpiperazin-1-yl)methyl]benzonitrile
CID 135177597
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
3-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 155494314
6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 131931591

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile (CID 56702172) is 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile is Cc1cccc2cc(CN3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c12.
What is the InChIKey of 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is ZAPSHPPDCFGIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-5-4-8-18-13-21(23(28)25-22(17)18)16-27-11-9-26(10-12-27)15-20-7-3-2-6-19(20)14-24/h2-8,13H,9-12,15-16H2,1H3,(H,25,28).
What are the key properties of 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 56702172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).