N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine

C17H20N4 — CID 106718858

IUPACN-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cc(C)nc3ccccc23)cn1
InChIInChI=1S/C17H20N4/c1-3-18-9-15-11-21(12-19-15)10-14-8-13(2)20-17-7-5-4-6-16(14)17/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyMZXOCODGWSJHHA-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.90
Rot. Bonds5

About N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718858) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718858
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cc(C)nc3ccccc23)cn1
InChIInChI=1S/C17H20N4/c1-3-18-9-15-11-21(12-19-15)10-14-8-13(2)20-17-7-5-4-6-16(14)17/h4-8,11-12,18H,3,9-10H2,1-2H3
InChIKeyMZXOCODGWSJHHA-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[(2-methylquinolin-4-yl)methyl]imidazole-4-carbaldehyde
CID 106716499
N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79231737
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106718699
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
CID 79240684
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
CID 79235165
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718891
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718858) is N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2cc(C)nc3ccccc23)cn1.
What is the InChIKey of N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is MZXOCODGWSJHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-18-9-15-11-21(12-19-15)10-14-8-13(2)20-17-7-5-4-6-16(14)17/h4-8,11-12,18H,3,9-10H2,1-2H3.
What are the key properties of N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).