[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate

C25H24N6O3 — CID 70154968

IUPAC[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
SMILESCCc1cccc2c(-c3nc4cc5nccnc5cc4n(OC(C)=O)c3=O)cn(CCCN)c12
InChIInChI=1S/C25H24N6O3/c1-3-16-6-4-7-17-18(14-30(24(16)17)11-5-8-26)23-25(33)31(34-15(2)32)22-13-20-19(12-21(22)29-23)27-9-10-28-20/h4,6-7,9-10,12-14H,3,5,8,11,26H2,1-2H3
InChIKeyJQGVHEZMTRYETO-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.85
Rot. Bonds6

About [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate

[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate (PubChem CID 70154968) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate.

Molecular Properties

Compound Name[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
PubChem CID70154968
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
SMILESCCc1cccc2c(-c3nc4cc5nccnc5cc4n(OC(C)=O)c3=O)cn(CCCN)c12
InChIInChI=1S/C25H24N6O3/c1-3-16-6-4-7-17-18(14-30(24(16)17)11-5-8-26)23-25(33)31(34-15(2)32)22-13-20-19(12-21(22)29-23)27-9-10-28-20/h4,6-7,9-10,12-14H,3,5,8,11,26H2,1-2H3
InChIKeyJQGVHEZMTRYETO-UHFFFAOYSA-N
XLogP2.85
TPSA117.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
CID 67565740
[2-[1-(4-aminobutyl)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154720
[2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70157404
[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
CID 70156856
[2-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70155318
[2-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxobenzo[g]quinoxalin-4-yl] acetate
CID 70154537
[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-2-oxo-5-phenylquinoxalin-1-yl] acetate
CID 67610267
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722
[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
CID 67610227
[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl] acetate
CID 67609607
acetic acid;methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxoquinoxalin-2-yl)indole-5-carboxylate
CID 173278007
1-(3-aminopropyl)-8-ethylquinolin-4-one
CID 84626142

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate?
The IUPAC name of [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate (CID 70154968) is [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate.
What is the SMILES notation for [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate?
The canonical SMILES for [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate is CCc1cccc2c(-c3nc4cc5nccnc5cc4n(OC(C)=O)c3=O)cn(CCCN)c12.
What is the InChIKey of [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate?
The InChIKey is JQGVHEZMTRYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-3-16-6-4-7-17-18(14-30(24(16)17)11-5-8-26)23-25(33)31(34-15(2)32)22-13-20-19(12-21(22)29-23)27-9-10-28-20/h4,6-7,9-10,12-14H,3,5,8,11,26H2,1-2H3.
What are the key properties of [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate?
[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate has a molecular weight of 456.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate is sourced from PubChem (CID 70154968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).