N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine

C18H19N3 — CID 105098479

IUPACN-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-20-18(14-7-6-10-19-12-14)16-11-13(2)21-17-9-5-4-8-15(16)17/h4-12,18,20H,3H2,1-2H3
InChIKeyKXWGMYQMEGGUCV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.64
Rot. Bonds4

About N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine

N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 105098479) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID105098479
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-20-18(14-7-6-10-19-12-14)16-11-13(2)21-17-9-5-4-8-15(16)17/h4-12,18,20H,3H2,1-2H3
InChIKeyKXWGMYQMEGGUCV-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105150060
N-[(3,6-dimethylpyridazin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098171
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
[1-(2-methylquinolin-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333737
N-[(1-methylindazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 103126252
(5-methyl-3-pyridinyl)-(2-methylquinolin-4-yl)methanamine
CID 105173927
2-cyclopropyl-N-ethyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105152893

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine (CID 105098479) is N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is KXWGMYQMEGGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-20-18(14-7-6-10-19-12-14)16-11-13(2)21-17-9-5-4-8-15(16)17/h4-12,18,20H,3H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 105098479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).