N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline

C22H25N4+ — CID 76699816

IUPACN-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
SMILESCN(N=Cc1cc[n+](C)c2ccccc12)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H25N4/c1-24-16-13-18(21-7-3-4-8-22(21)24)17-23-25(2)19-9-11-20(12-10-19)26-14-5-6-15-26/h3-4,7-13,16-17H,5-6,14-15H2,1-2H3/q+1
InChIKeyQZRYQKXOMLKLLJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline

N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline (PubChem CID 76699816) has the molecular formula C22H25N4+ and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
PubChem CID76699816
Molecular FormulaC22H25N4+
Molecular Weight345.47 g/mol
Exact Mass345.21
IUPAC NameN-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
SMILESCN(N=Cc1cc[n+](C)c2ccccc12)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H25N4/c1-24-16-13-18(21-7-3-4-8-22(21)24)17-23-25(2)19-9-11-20(12-10-19)26-14-5-6-15-26/h3-4,7-13,16-17H,5-6,14-15H2,1-2H3/q+1
InChIKeyQZRYQKXOMLKLLJ-UHFFFAOYSA-N
XLogP3.73
TPSA22.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline 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

N-methyl-N-[1-(1-methylquinolin-1-ium-4-yl)ethylideneamino]-4-pyrrolidin-1-ylaniline
CID 76699698
N-methyl-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]aniline
CID 58766161
N-methyl-N-[1-(1-methylquinolin-1-ium-4-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
CID 76699855
CID 89320038
CID 89320038
N-methyl-N-[1-(1-methylquinolin-1-ium-4-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
CID 76699744
N-methyl-4-piperidin-1-yl-N-[(sulfanylidene-λ4-sulfanylidene)amino]aniline
CID 118396854
N,N-bis(2-chloroethyl)-4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
CID 3378359
methane;3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole
CID 158713482
3-benzyl-1-methyl-1-(4-pyrrolidin-1-ylphenyl)urea
CID 110752184
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
N-(dimethylsulfamoyl)-N-methyl-4-pyrrolidin-1-ylaniline
CID 110753185
dichloromethane;dimethyl sulfate;methanesulfonoperoxoate;4-N-methyl-4-N-[(Z)-(1-methylquinolin-1-ium-4-yl)methylideneamino]-1-N-pentan-3-ylbenzene-1,4-diamine;4-[[(E)-(1-methylquinolin-4-ylidene)methyl]diazenyl]-N-pentan-3-ylaniline
CID 172939273

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline (CID 76699816) is N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline is CN(N=Cc1cc[n+](C)c2ccccc12)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The InChIKey is QZRYQKXOMLKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N4/c1-24-16-13-18(21-7-3-4-8-22(21)24)17-23-25(2)19-9-11-20(12-10-19)26-14-5-6-15-26/h3-4,7-13,16-17H,5-6,14-15H2,1-2H3/q+1.
What are the key properties of N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline has a molecular weight of 345.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 76699816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).