N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine

C21H27N5O2 — CID 126465455

IUPACN-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCOc1ccc(OC)c2nc(N3CCCC3)c(CNCCc3cnc[nH]3)cc12
InChIInChI=1S/C21H27N5O2/c1-27-18-5-6-19(28-2)20-17(18)11-15(21(25-20)26-9-3-4-10-26)12-22-8-7-16-13-23-14-24-16/h5-6,11,13-14,22H,3-4,7-10,12H2,1-2H3,(H,23,24)
InChIKeyFWYKUGKBNZRLOD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.91
Rot. Bonds8

About N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine

N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 126465455) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID126465455
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCOc1ccc(OC)c2nc(N3CCCC3)c(CNCCc3cnc[nH]3)cc12
InChIInChI=1S/C21H27N5O2/c1-27-18-5-6-19(28-2)20-17(18)11-15(21(25-20)26-9-3-4-10-26)12-22-8-7-16-13-23-14-24-16/h5-6,11,13-14,22H,3-4,7-10,12H2,1-2H3,(H,23,24)
InChIKeyFWYKUGKBNZRLOD-UHFFFAOYSA-N
XLogP2.91
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine 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-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988465
2-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methylamino]propan-1-ol
CID 45167503
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 65230472
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
ethyl 1-[3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-5,8-dimethoxyquinolin-2-yl]piperidine-4-carboxylate
CID 26319972
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine (CID 126465455) is N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine is COc1ccc(OC)c2nc(N3CCCC3)c(CNCCc3cnc[nH]3)cc12.
What is the InChIKey of N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is FWYKUGKBNZRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-27-18-5-6-19(28-2)20-17(18)11-15(21(25-20)26-9-3-4-10-26)12-22-8-7-16-13-23-14-24-16/h5-6,11,13-14,22H,3-4,7-10,12H2,1-2H3,(H,23,24).
What are the key properties of N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine?
N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 381.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 126465455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).