N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine

C16H16N4 — CID 105172471

IUPACN-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cnc(C)cn1)c1cccc2cccnc12
InChIInChI=1S/C16H16N4/c1-11-9-20-14(10-19-11)16(17-2)13-7-3-5-12-6-4-8-18-15(12)13/h3-10,16-17H,1-2H3
InChIKeyMIVMMJZGBKCPJL-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine

N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine (PubChem CID 105172471) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
PubChem CID105172471
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1cnc(C)cn1)c1cccc2cccnc12
InChIInChI=1S/C16H16N4/c1-11-9-20-14(10-19-11)16(17-2)13-7-3-5-12-6-4-8-18-15(12)13/h3-10,16-17H,1-2H3
InChIKeyMIVMMJZGBKCPJL-UHFFFAOYSA-N
XLogP2.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine (CID 105172471) is N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine is CNC(c1cnc(C)cn1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine?
The InChIKey is MIVMMJZGBKCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-9-20-14(10-19-11)16(17-2)13-7-3-5-12-6-4-8-18-15(12)13/h3-10,16-17H,1-2H3.
What are the key properties of N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105172471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).