4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one

C12H17N3O — CID 117006568

IUPAC4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(C)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-14(2)7-8-15-9-12(16)13-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,13,16)
InChIKeySBCBMOOTQNUQOB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.01
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one

4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 117006568) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID117006568
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
SMILESCN(C)CCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-14(2)7-8-15-9-12(16)13-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,13,16)
InChIKeySBCBMOOTQNUQOB-UHFFFAOYSA-N
XLogP1.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122560222
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
CID 117007172
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
CID 106707878
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
4-[2-(dimethylamino)ethyl]-7,8-difluoro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122558557

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one (CID 117006568) is 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one is CN(C)CCN1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SBCBMOOTQNUQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)7-8-15-9-12(16)13-10-5-3-4-6-11(10)15/h3-6H,7-9H2,1-2H3,(H,13,16).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).