1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one

C14H19N3O — CID 3031766

IUPAC1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCCN(C)C)c1=O
InChIInChI=1S/C14H19N3O/c1-11-14(18)17(10-6-9-16(2)3)13-8-5-4-7-12(13)15-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyHDGMMAOSFCZVFT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.66
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one

1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one (PubChem CID 3031766) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
PubChem CID3031766
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCCN(C)C)c1=O
InChIInChI=1S/C14H19N3O/c1-11-14(18)17(10-6-9-16(2)3)13-8-5-4-7-12(13)15-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyHDGMMAOSFCZVFT-UHFFFAOYSA-N
XLogP1.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one (CID 3031766) is 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CCCN(C)C)c1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one?
The InChIKey is HDGMMAOSFCZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-14(18)17(10-6-9-16(2)3)13-8-5-4-7-12(13)15-11/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one?
1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 3031766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).