N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine

C16H20N4 — CID 81248268

IUPACN-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H20N4/c1-17-11-13-12-18-8-7-14(13)20-10-9-19(2)15-5-3-4-6-16(15)20/h3-8,12,17H,9-11H2,1-2H3
InChIKeyQUOVZVUOFQGOEX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine

N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81248268) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine
PubChem CID81248268
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C16H20N4/c1-17-11-13-12-18-8-7-14(13)20-10-9-19(2)15-5-3-4-6-16(15)20/h3-8,12,17H,9-11H2,1-2H3
InChIKeyQUOVZVUOFQGOEX-UHFFFAOYSA-N
XLogP2.39
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine (CID 81248268) is N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine is CNCc1cnccc1N1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is QUOVZVUOFQGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-11-13-12-18-8-7-14(13)20-10-9-19(2)15-5-3-4-6-16(15)20/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine?
N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81248268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).