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

C17H27N3O — CID 65291095

IUPAC6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(7-6-8-14(2)18)17(21)20-12-11-19(3)15-9-4-5-10-16(15)20/h4-5,9-10,13-14H,6-8,11-12,18H2,1-3H3
InChIKeyLFBDBTOOGISRHH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.62
Rot. Bonds5

About 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one

6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one (PubChem CID 65291095) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one
PubChem CID65291095
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(7-6-8-14(2)18)17(21)20-12-11-19(3)15-9-4-5-10-16(15)20/h4-5,9-10,13-14H,6-8,11-12,18H2,1-3H3
InChIKeyLFBDBTOOGISRHH-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 63779129
N'-hydroxy-3-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanimidamide
CID 77005820
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888932
2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
CID 63778022

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one (CID 65291095) is 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one is CC(N)CCCC(C)C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one?
The InChIKey is LFBDBTOOGISRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(7-6-8-14(2)18)17(21)20-12-11-19(3)15-9-4-5-10-16(15)20/h4-5,9-10,13-14H,6-8,11-12,18H2,1-3H3.
What are the key properties of 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one?
6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)heptan-1-one is sourced from PubChem (CID 65291095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).