2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one

C27H24N4O — CID 18419150

IUPAC2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
SMILESNCc1cccc(Cn2cc(-c3nc4cc5c(cc4[nH]c3=O)CCC5)c3ccccc32)c1
InChIInChI=1S/C27H24N4O/c28-14-17-5-3-6-18(11-17)15-31-16-22(21-9-1-2-10-25(21)31)26-27(32)30-24-13-20-8-4-7-19(20)12-23(24)29-26/h1-3,5-6,9-13,16H,4,7-8,14-15,28H2,(H,30,32)
InChIKeyUITXWSIFJINBCM-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.54
Rot. Bonds4

About 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one

2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one (PubChem CID 18419150) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one.

Molecular Properties

Compound Name2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
PubChem CID18419150
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
SMILESNCc1cccc(Cn2cc(-c3nc4cc5c(cc4[nH]c3=O)CCC5)c3ccccc32)c1
InChIInChI=1S/C27H24N4O/c28-14-17-5-3-6-18(11-17)15-31-16-22(21-9-1-2-10-25(21)31)26-27(32)30-24-13-20-8-4-7-19(20)12-23(24)29-26/h1-3,5-6,9-13,16H,4,7-8,14-15,28H2,(H,30,32)
InChIKeyUITXWSIFJINBCM-UHFFFAOYSA-N
XLogP4.54
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one with MolForge

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Related Compounds

acetic acid;3-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18418948
acetic acid;7-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-1,5-dihydropyrazolo[3,4-g]quinoxalin-6-one
CID 18418969
3-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-7,8-dimethyl-1H-pyrazino[2,3-g]quinoxalin-2-one
CID 18419285
acetic acid;8-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 18419346
3-[5-[[3-(aminomethyl)phenyl]methyl]-[1,3]dioxolo[4,5-f]indol-7-yl]-7,8-dimethyl-1H-pyrazino[2,3-g]quinoxalin-2-one
CID 18419168
acetic acid;6-acetyl-2-[1-(4-aminobutyl)indol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
CID 18419279
7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 18419255
acetic acid;2-[5-(3-aminopropyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419203
acetic acid;2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419301
[2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxopyrazino[2,3-g]quinoxalin-4-yl] acetate
CID 70157404
[2-[1-[[4-(aminomethyl)phenyl]methyl]indol-3-yl]-3-oxobenzo[g]quinoxalin-4-yl] acetate
CID 70154537
[3-[(3-chloroindol-1-yl)methyl]phenyl]methanamine
CID 55119869

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one?
The IUPAC name of 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one (CID 18419150) is 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one.
What is the SMILES notation for 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one?
The canonical SMILES for 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one is NCc1cccc(Cn2cc(-c3nc4cc5c(cc4[nH]c3=O)CCC5)c3ccccc32)c1.
What is the InChIKey of 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one?
The InChIKey is UITXWSIFJINBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c28-14-17-5-3-6-18(11-17)15-31-16-22(21-9-1-2-10-25(21)31)26-27(32)30-24-13-20-8-4-7-19(20)12-23(24)29-26/h1-3,5-6,9-13,16H,4,7-8,14-15,28H2,(H,30,32).
What are the key properties of 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one?
2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one has a molecular weight of 420.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(aminomethyl)phenyl]methyl]indol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one is sourced from PubChem (CID 18419150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).