7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one

C20H18N6O — CID 18419255

IUPAC7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
SMILESNCCCn1cc(-c2nc3cc4[nH]cnc4cc3[nH]c2=O)c2ccccc21
InChIInChI=1S/C20H18N6O/c21-6-3-7-26-10-13(12-4-1-2-5-18(12)26)19-20(27)25-17-9-15-14(22-11-23-15)8-16(17)24-19/h1-2,4-5,8-11H,3,6-7,21H2,(H,22,23)(H,25,27)
InChIKeyLOTSMKVQHHLMJB-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.77
Rot. Bonds4

About 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one

7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one (PubChem CID 18419255) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
PubChem CID18419255
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
SMILESNCCCn1cc(-c2nc3cc4[nH]cnc4cc3[nH]c2=O)c2ccccc21
InChIInChI=1S/C20H18N6O/c21-6-3-7-26-10-13(12-4-1-2-5-18(12)26)19-20(27)25-17-9-15-14(22-11-23-15)8-16(17)24-19/h1-2,4-5,8-11H,3,6-7,21H2,(H,22,23)(H,25,27)
InChIKeyLOTSMKVQHHLMJB-UHFFFAOYSA-N
XLogP2.77
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277698
acetic acid;6-acetyl-2-[1-(4-aminobutyl)indol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 18419279
3-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-7,8-dimethyl-1H-pyrazino[2,3-g]quinoxalin-2-one
CID 18419285
3-[5-(3-aminopropyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-7-phenyl-1H-quinoxalin-2-one
CID 54504985
acetic acid;3-[5-amino-1-(3-aminopropyl)indol-3-yl]-6-methyl-1H-quinoxalin-2-one
CID 173277727
acetic acid;7-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
CID 18419108
9-[1-(4-aminobutyl)indol-3-yl]-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinoxalin-8-one
CID 18419223
3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18419292
2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419150
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722
acetic acid;3-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18418948

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one (CID 18419255) is 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one is NCCCn1cc(-c2nc3cc4[nH]cnc4cc3[nH]c2=O)c2ccccc21.
What is the InChIKey of 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
The InChIKey is LOTSMKVQHHLMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-6-3-7-26-10-13(12-4-1-2-5-18(12)26)19-20(27)25-17-9-15-14(22-11-23-15)8-16(17)24-19/h1-2,4-5,8-11H,3,6-7,21H2,(H,22,23)(H,25,27).
What are the key properties of 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one?
7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one has a molecular weight of 358.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 18419255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).