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

C14H19N3O2 — CID 43483374

IUPAC6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCNC(CC(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-8(2)6-11(15-3)9-4-5-10-12(7-9)17-14(19)13(18)16-10/h4-5,7-8,11,15H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNOTKXOQJCHQDPF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds4

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

6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43483374) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43483374
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCNC(CC(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-8(2)6-11(15-3)9-4-5-10-12(7-9)17-14(19)13(18)16-10/h4-5,7-8,11,15H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNOTKXOQJCHQDPF-UHFFFAOYSA-N
XLogP1.52
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

6-[2-methyl-1-(methylamino)pentyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483366
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
4-[3-methyl-1-(methylamino)butyl]aniline
CID 116951997
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43483587

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione (CID 43483374) is 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione is CNC(CC(C)C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is NOTKXOQJCHQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)6-11(15-3)9-4-5-10-12(7-9)17-14(19)13(18)16-10/h4-5,7-8,11,15H,6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43483374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).