3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine

C18H26N4O — CID 42892067

IUPAC3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C18H26N4O/c1-13(2)17(22-8-10-23-11-9-22)12-19-18-14(3)20-15-6-4-5-7-16(15)21-18/h4-7,13,17H,8-12H2,1-3H3,(H,19,21)
InChIKeySDQYQJPSYFNREO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.71
Rot. Bonds5

About 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine

3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine (PubChem CID 42892067) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
PubChem CID42892067
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C18H26N4O/c1-13(2)17(22-8-10-23-11-9-22)12-19-18-14(3)20-15-6-4-5-7-16(15)21-18/h4-7,13,17H,8-12H2,1-3H3,(H,19,21)
InChIKeySDQYQJPSYFNREO-UHFFFAOYSA-N
XLogP2.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine (CID 42892067) is 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(C(C)C)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine?
The InChIKey is SDQYQJPSYFNREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)17(22-8-10-23-11-9-22)12-19-18-14(3)20-15-6-4-5-7-16(15)21-18/h4-7,13,17H,8-12H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine?
3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine has a molecular weight of 314.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)quinoxalin-2-amine is sourced from PubChem (CID 42892067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).