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

C14H17N3O4 — CID 62797975

IUPAC6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1COCCO1
InChIInChI=1S/C14H17N3O4/c1-15-12(11-7-20-4-5-21-11)8-2-3-9-10(6-8)17-14(19)13(18)16-9/h2-3,6,11-12,15H,4-5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyPKVUQXSDRFZBNO-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.11
Rot. Bonds3

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

6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 62797975) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID62797975
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1COCCO1
InChIInChI=1S/C14H17N3O4/c1-15-12(11-7-20-4-5-21-11)8-2-3-9-10(6-8)17-14(19)13(18)16-9/h2-3,6,11-12,15H,4-5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyPKVUQXSDRFZBNO-UHFFFAOYSA-N
XLogP-0.11
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
8-[1,4-dioxan-2-yl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525666
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615
1-(1,4-dioxan-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291492
1-(1,4-dioxan-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291816
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
5-[1-(1,4-dioxan-2-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61024867
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801

Frequently Asked Questions

What is the IUPAC name of 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 62797975) is 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione is CNC(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1COCCO1.
What is the InChIKey of 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is PKVUQXSDRFZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(11-7-20-4-5-21-11)8-2-3-9-10(6-8)17-14(19)13(18)16-9/h2-3,6,11-12,15H,4-5,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 291.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,4-dioxan-2-yl(methylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 62797975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).