6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione

C15H21N3O2 — CID 43483366

IUPAC6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCC(C)C(NC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-4-5-9(2)13(16-3)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13,16H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKLKTXXFWDQKPDW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds5

About 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione

6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43483366) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43483366
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCC(C)C(NC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-4-5-9(2)13(16-3)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13,16H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKLKTXXFWDQKPDW-UHFFFAOYSA-N
XLogP1.91
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
CID 62678408

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43483366) is 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione is CCCC(C)C(NC)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is KLKTXXFWDQKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-9(2)13(16-3)10-6-7-11-12(8-10)18-15(20)14(19)17-11/h6-9,13,16H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 275.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43483366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).