1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline

C21H25N3 — CID 126691009

IUPAC1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline
SMILESCN1CCN(C2=CCc3ccccc3N2Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3/c1-22-13-15-23(16-14-22)21-12-11-19-9-5-6-10-20(19)24(21)17-18-7-3-2-4-8-18/h2-10,12H,11,13-17H2,1H3
InChIKeyWHALPHQCKOAQKR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.34
Rot. Bonds3

About 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline

1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline (PubChem CID 126691009) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline.

Molecular Properties

Compound Name1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline
PubChem CID126691009
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline
SMILESCN1CCN(C2=CCc3ccccc3N2Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3/c1-22-13-15-23(16-14-22)21-12-11-19-9-5-6-10-20(19)24(21)17-18-7-3-2-4-8-18/h2-10,12H,11,13-17H2,1H3
InChIKeyWHALPHQCKOAQKR-UHFFFAOYSA-N
XLogP3.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
4-benzyl-6-chloro-8-(4-methylpiperazin-1-yl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 24997188
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
2,4-dibenzyl-6-chloro-8-(4-methylpiperazin-1-yl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 16742589
1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 10248285
1-benzyl-3-[(E)-2-(1-benzyl-2,5-dihydro-1-benzazepin-3-yl)ethenyl]-2,5-dihydro-1-benzazepine
CID 134837655
1-methyl-2-phenyl-4H-quinoline
CID 20646525
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1-benzyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)indole
CID 139430880

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline?
The IUPAC name of 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline (CID 126691009) is 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline.
What is the SMILES notation for 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline?
The canonical SMILES for 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline is CN1CCN(C2=CCc3ccccc3N2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline?
The InChIKey is WHALPHQCKOAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-22-13-15-23(16-14-22)21-12-11-19-9-5-6-10-20(19)24(21)17-18-7-3-2-4-8-18/h2-10,12H,11,13-17H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline?
1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline has a molecular weight of 319.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methylpiperazin-1-yl)-4H-quinoline is sourced from PubChem (CID 126691009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).