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

C17H18N4 — CID 105150060

IUPACN-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-19-17(16-11-18-8-9-20-16)14-10-12(2)21-15-7-5-4-6-13(14)15/h4-11,17,19H,3H2,1-2H3
InChIKeyJXHNQPUGDWUTHZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 105150060) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID105150060
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cc(C)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-19-17(16-11-18-8-9-20-16)14-10-12(2)21-15-7-5-4-6-13(14)15/h4-11,17,19H,3H2,1-2H3
InChIKeyJXHNQPUGDWUTHZ-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylquinolin-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098479
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[(2,5-dimethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149940
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
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)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine (CID 105150060) is N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is JXHNQPUGDWUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-19-17(16-11-18-8-9-20-16)14-10-12(2)21-15-7-5-4-6-13(14)15/h4-11,17,19H,3H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-4-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 105150060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).