[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate

C25H26N4O3 — CID 70156856

IUPAC[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
SMILESCC(=O)On1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2cc3c(cc21)CCCC3
InChIInChI=1S/C25H26N4O3/c1-16(30)32-29-23-14-18-8-3-2-7-17(18)13-21(23)27-24(25(29)31)20-15-28(12-6-11-26)22-10-5-4-9-19(20)22/h4-5,9-10,13-15H,2-3,6-8,11-12,26H2,1H3
InChIKeyJJITVWKMNHIJLE-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.22
Rot. Bonds5

About [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate

[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate (PubChem CID 70156856) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate.

Molecular Properties

Compound Name[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
PubChem CID70156856
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
SMILESCC(=O)On1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2cc3c(cc21)CCCC3
InChIInChI=1S/C25H26N4O3/c1-16(30)32-29-23-14-18-8-3-2-7-17(18)13-21(23)27-24(25(29)31)20-15-28(12-6-11-26)22-10-5-4-9-19(20)22/h4-5,9-10,13-15H,2-3,6-8,11-12,26H2,1H3
InChIKeyJJITVWKMNHIJLE-UHFFFAOYSA-N
XLogP3.22
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate with MolForge

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Related Compounds

[2-[1-(4-aminobutyl)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154720
[2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate
CID 70157184
[2-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxobenzo[g]quinoxalin-4-yl] acetate
CID 70154537
[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
CID 67565740
[2-[1-(3-aminopropyl)-7-ethylindol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70154968
[2-[1-(3-aminopropyl)-5-(dibenzylamino)indol-3-yl]-7,8-dimethyl-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70155318
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722
[2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70157404
[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-2-oxo-5-phenylquinoxalin-1-yl] acetate
CID 67610267
[3-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]indol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
CID 67610227
acetic acid;methyl 1-(3-aminopropyl)-3-(4-methyl-3-oxoquinoxalin-2-yl)indole-5-carboxylate
CID 173278007
acetic acid;6-acetyl-2-[1-(4-aminobutyl)indol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 18419279

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate?
The IUPAC name of [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate (CID 70156856) is [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate.
What is the SMILES notation for [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate?
The canonical SMILES for [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate is CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccccc23)nc2cc3c(cc21)CCCC3.
What is the InChIKey of [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate?
The InChIKey is JJITVWKMNHIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(30)32-29-23-14-18-8-3-2-7-17(18)13-21(23)27-24(25(29)31)20-15-28(12-6-11-26)22-10-5-4-9-19(20)22/h4-5,9-10,13-15H,2-3,6-8,11-12,26H2,1H3.
What are the key properties of [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate?
[2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate has a molecular weight of 430.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-aminopropyl)indol-3-yl]-3-oxo-6,7,8,9-tetrahydrobenzo[g]quinoxalin-4-yl] acetate is sourced from PubChem (CID 70156856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).