3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one

C24H22N4O — CID 18419292

IUPAC3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
SMILESCc1c(-c2nc3cc4ccccc4cc3[nH]c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C24H22N4O/c1-15-22(18-9-4-5-10-21(18)28(15)12-6-11-25)23-24(29)27-20-14-17-8-3-2-7-16(17)13-19(20)26-23/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,27,29)
InChIKeySQOMKIJJIVJOFH-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.36
Rot. Bonds4

About 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one

3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one (PubChem CID 18419292) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
PubChem CID18419292
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
SMILESCc1c(-c2nc3cc4ccccc4cc3[nH]c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C24H22N4O/c1-15-22(18-9-4-5-10-21(18)28(15)12-6-11-25)23-24(29)27-20-14-17-8-3-2-7-16(17)13-19(20)26-23/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,27,29)
InChIKeySQOMKIJJIVJOFH-UHFFFAOYSA-N
XLogP4.36
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3-[1-(4-aminobutyl)-2-benzylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18419082
acetic acid;3-[1-(3-aminopropyl)-2-methylindol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277836
acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one
CID 67565739
7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 18419202
8-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 18419259
acetic acid;2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419301
7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 18419255
acetic acid;3-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18418948
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277698
3-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-7,8-dimethyl-1H-pyrazino[2,3-g]quinoxalin-2-one
CID 18419285
acetic acid;6-acetyl-2-[1-(4-aminobutyl)indol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 18419279
acetic acid;9-[1-(4-aminobutyl)-2-benzylindol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one
CID 18419095

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one?
The IUPAC name of 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one (CID 18419292) is 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one.
What is the SMILES notation for 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one?
The canonical SMILES for 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one is Cc1c(-c2nc3cc4ccccc4cc3[nH]c2=O)c2ccccc2n1CCCN.
What is the InChIKey of 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one?
The InChIKey is SQOMKIJJIVJOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-15-22(18-9-4-5-10-21(18)28(15)12-6-11-25)23-24(29)27-20-14-17-8-3-2-7-16(17)13-19(20)26-23/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,27,29).
What are the key properties of 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one?
3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one has a molecular weight of 382.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one is sourced from PubChem (CID 18419292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).