7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one

C26H21ClN4O3 — CID 18419202

IUPAC7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESNCCCn1c(-c2ccc(Cl)cc2)c(-c2nc3cc4c(cc3[nH]c2=O)OCO4)c2ccccc21
InChIInChI=1S/C26H21ClN4O3/c27-16-8-6-15(7-9-16)25-23(17-4-1-2-5-20(17)31(25)11-3-10-28)24-26(32)30-19-13-22-21(33-14-34-22)12-18(19)29-24/h1-2,4-9,12-13H,3,10-11,14,28H2,(H,30,32)
InChIKeyRPLAKSZFJKWBGX-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.94
Rot. Bonds5

About 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one

7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one (PubChem CID 18419202) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one
PubChem CID18419202
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one
SMILESNCCCn1c(-c2ccc(Cl)cc2)c(-c2nc3cc4c(cc3[nH]c2=O)OCO4)c2ccccc21
InChIInChI=1S/C26H21ClN4O3/c27-16-8-6-15(7-9-16)25-23(17-4-1-2-5-20(17)31(25)11-3-10-28)24-26(32)30-19-13-22-21(33-14-34-22)12-18(19)29-24/h1-2,4-9,12-13H,3,10-11,14,28H2,(H,30,32)
InChIKeyRPLAKSZFJKWBGX-UHFFFAOYSA-N
XLogP4.94
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one with MolForge

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Related Compounds

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
3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18419292
3-[5-(3-aminopropyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-7-phenyl-1H-quinoxalin-2-one
CID 54504985
acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one
CID 67565739
acetic acid;3-[1-(4-aminobutyl)-2-benzylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18419082
acetic acid;2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419301
acetic acid;3-[1-(3-aminopropyl)-2-methylindol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277836
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
7-[1-(3-aminopropyl)indol-3-yl]-1,5-dihydroimidazo[4,5-g]quinoxalin-6-one
CID 18419255
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
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-[5-(3-aminopropyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-4H-benzo[f]quinoxalin-3-one
CID 18419297

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The IUPAC name of 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one (CID 18419202) is 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one is NCCCn1c(-c2ccc(Cl)cc2)c(-c2nc3cc4c(cc3[nH]c2=O)OCO4)c2ccccc21.
What is the InChIKey of 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
The InChIKey is RPLAKSZFJKWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c27-16-8-6-15(7-9-16)25-23(17-4-1-2-5-20(17)31(25)11-3-10-28)24-26(32)30-19-13-22-21(33-14-34-22)12-18(19)29-24/h1-2,4-9,12-13H,3,10-11,14,28H2,(H,30,32).
What are the key properties of 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one?
7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one has a molecular weight of 472.93 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 18419202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).