3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one

C21H25N3O2 — CID 3088397

IUPAC3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one
SMILESCOc1ccc2c(c1)nc(Cc1ccccc1)c(=O)n2CCCN(C)C
InChIInChI=1S/C21H25N3O2/c1-23(2)12-7-13-24-20-11-10-17(26-3)15-18(20)22-19(21(24)25)14-16-8-5-4-6-9-16/h4-6,8-11,15H,7,12-14H2,1-3H3
InChIKeyLJLGUXODIGEIOR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds7

About 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one

3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one (PubChem CID 3088397) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one
PubChem CID3088397
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one
SMILESCOc1ccc2c(c1)nc(Cc1ccccc1)c(=O)n2CCCN(C)C
InChIInChI=1S/C21H25N3O2/c1-23(2)12-7-13-24-20-11-10-17(26-3)15-18(20)22-19(21(24)25)14-16-8-5-4-6-9-16/h4-6,8-11,15H,7,12-14H2,1-3H3
InChIKeyLJLGUXODIGEIOR-UHFFFAOYSA-N
XLogP2.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Caroverine
CID 65709
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
3-[(4-Methoxyphenyl)methyl]-2(1H)-quinoxalinone
CID 9269643
Caroverine Hydrochloride
CID 3043582
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 965678
8-Methoxy-1-methyl-4-phenyl-1h-benzo[b][1,4]diazepin-2(3h)-one
CID 665106
3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 2527069
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 3231126
1-(4-Methoxyphenyl)-3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 4027838
N-[2-(2-fluorophenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 16299579
1-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-methoxy-3-phenylquinoxalin-2-one
CID 49799608
1-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-benzyl-6-methoxyquinoxalin-2-one
CID 49799609

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one?
The IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one (CID 3088397) is 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one.
What is the SMILES notation for 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one?
The canonical SMILES for 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one is COc1ccc2c(c1)nc(Cc1ccccc1)c(=O)n2CCCN(C)C.
What is the InChIKey of 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one?
The InChIKey is LJLGUXODIGEIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)12-7-13-24-20-11-10-17(26-3)15-18(20)22-19(21(24)25)14-16-8-5-4-6-9-16/h4-6,8-11,15H,7,12-14H2,1-3H3.
What are the key properties of 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one?
3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one is sourced from PubChem (CID 3088397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).