2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one

C15H23N3O — CID 63778411

IUPAC2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-9-15(2,16)14(19)18-11-10-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-11,16H2,1-3H3
InChIKeyHAYQLTRSANMXPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one

2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one (PubChem CID 63778411) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
PubChem CID63778411
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-4-9-15(2,16)14(19)18-11-10-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-11,16H2,1-3H3
InChIKeyHAYQLTRSANMXPS-UHFFFAOYSA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one (CID 63778411) is 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one is CCCC(C)(N)C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one?
The InChIKey is HAYQLTRSANMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-9-15(2,16)14(19)18-11-10-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-11,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one?
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one is sourced from PubChem (CID 63778411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).