N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine

C18H19N3 — CID 78943042

IUPACN-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc(CNC(C)c2ccccn2)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-11-15(16-7-3-4-9-18(16)21-13)12-20-14(2)17-8-5-6-10-19-17/h3-11,14,20H,12H2,1-2H3
InChIKeyVHTBLMKYPGWRCC-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine

N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 78943042) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID78943042
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc(CNC(C)c2ccccn2)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-11-15(16-7-3-4-9-18(16)21-13)12-20-14(2)17-8-5-6-10-19-17/h3-11,14,20H,12H2,1-2H3
InChIKeyVHTBLMKYPGWRCC-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine (CID 78943042) is N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine is Cc1cc(CNC(C)c2ccccn2)c2ccccc2n1.
What is the InChIKey of N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is VHTBLMKYPGWRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-11-15(16-7-3-4-9-18(16)21-13)12-20-14(2)17-8-5-6-10-19-17/h3-11,14,20H,12H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine?
N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.79, 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)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 78943042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).