acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one

C22H24N4O3 — CID 173277722

IUPACacetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
SMILESCC(=O)O.Cn1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H20N4O.C2H4O2/c1-23-18-10-5-3-8-16(18)22-19(20(23)25)15-13-24(12-6-11-21)17-9-4-2-7-14(15)17;1-2(3)4/h2-5,7-10,13H,6,11-12,21H2,1H3;1H3,(H,3,4)
InChIKeyNXOSSRDUXUPBJO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.99
Rot. Bonds4

About acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one

acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one (PubChem CID 173277722) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Nameacetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
PubChem CID173277722
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameacetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
SMILESCC(=O)O.Cn1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H20N4O.C2H4O2/c1-23-18-10-5-3-8-16(18)22-19(20(23)25)15-13-24(12-6-11-21)17-9-4-2-7-14(15)17;1-2(3)4/h2-5,7-10,13H,6,11-12,21H2,1H3;1H3,(H,3,4)
InChIKeyNXOSSRDUXUPBJO-UHFFFAOYSA-N
XLogP2.99
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-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 acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one?
The IUPAC name of acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one (CID 173277722) is acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one.
What is the SMILES notation for acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one?
The canonical SMILES for acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one is CC(=O)O.Cn1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2ccccc21.
What is the InChIKey of acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one?
The InChIKey is NXOSSRDUXUPBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.C2H4O2/c1-23-18-10-5-3-8-16(18)22-19(20(23)25)15-13-24(12-6-11-21)17-9-4-2-7-14(15)17;1-2(3)4/h2-5,7-10,13H,6,11-12,21H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one?
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 173277722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).