3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C15H21N3O — CID 45271143

IUPAC3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCN(C)Cc1ccc2c(c1)NC(=O)C1CCCCN21
InChIInChI=1S/C15H21N3O/c1-17(2)10-11-6-7-13-12(9-11)16-15(19)14-5-3-4-8-18(13)14/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,16,19)
InChIKeyBZEFDGXWAUOOOF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds2

About 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 45271143) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID45271143
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCN(C)Cc1ccc2c(c1)NC(=O)C1CCCCN21
InChIInChI=1S/C15H21N3O/c1-17(2)10-11-6-7-13-12(9-11)16-15(19)14-5-3-4-8-18(13)14/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,16,19)
InChIKeyBZEFDGXWAUOOOF-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one with MolForge

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Related Compounds

7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 5311897
1,4-Dihydro-6-methylquinoxaline-2,3-dione
CID 73225
6,7-Dimethyl-2,3-quinoxalinediol
CID 247670
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2870460
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
CID 3427544
3-(trifluoromethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 3811925
7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 22427099
6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3-de]quinoxalin-3-one
CID 15744960
7-((dimethylamino)methyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45268640
7-(pyrrolidin-1-ylmethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45272044
3-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45272045

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 45271143) is 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is CN(C)Cc1ccc2c(c1)NC(=O)C1CCCCN21.
What is the InChIKey of 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is BZEFDGXWAUOOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(2)10-11-6-7-13-12(9-11)16-15(19)14-5-3-4-8-18(13)14/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,16,19).
What are the key properties of 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 259.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 45271143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).