acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one

C29H30N4O3 — CID 67565739

IUPACacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one
SMILESCC(=O)O.CCc1c(-c2nc3ccc(-c4ccccc4)cc3[nH]c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C27H26N4O.C2H4O2/c1-2-23-25(20-11-6-7-12-24(20)31(23)16-8-15-28)26-27(32)30-22-17-19(13-14-21(22)29-26)18-9-4-3-5-10-18;1-2(3)4/h3-7,9-14,17H,2,8,15-16,28H2,1H3,(H,30,32);1H3,(H,3,4)
InChIKeyRTOZTENABYOOFV-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.21
Rot. Bonds6

About acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one

acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one (PubChem CID 67565739) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Nameacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one
PubChem CID67565739
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Nameacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one
SMILESCC(=O)O.CCc1c(-c2nc3ccc(-c4ccccc4)cc3[nH]c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C27H26N4O.C2H4O2/c1-2-23-25(20-11-6-7-12-24(20)31(23)16-8-15-28)26-27(32)30-22-17-19(13-14-21(22)29-26)18-9-4-3-5-10-18;1-2(3)4/h3-7,9-14,17H,2,8,15-16,28H2,1H3,(H,30,32);1H3,(H,3,4)
InChIKeyRTOZTENABYOOFV-UHFFFAOYSA-N
XLogP5.21
TPSA114.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]-6,7-dichloro-1-methylquinoxalin-2-one
CID 173277882
acetic acid;2-[1-(4-aminobutyl)-2-benzylindol-3-yl]-4,6,7,8-tetrahydrocyclopenta[g]quinoxalin-3-one
CID 18419301
3-[1-(3-aminopropyl)-2-methylindol-3-yl]-1H-benzo[g]quinoxalin-2-one
CID 18419292
[3-[1-(4-aminobutyl)-2-benzylindol-3-yl]-2-oxo-7-phenylquinoxalin-1-yl] acetate
CID 67610228
acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-7-nitro-1H-quinoxalin-2-one
CID 173277698
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
7-[1-(3-aminopropyl)-2-(4-chlorophenyl)indol-3-yl]-5H-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 18419202
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
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)indol-3-yl]-1-methylquinoxalin-2-one
CID 173277722

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one?
The IUPAC name of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one (CID 67565739) is acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one.
What is the SMILES notation for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one?
The canonical SMILES for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one is CC(=O)O.CCc1c(-c2nc3ccc(-c4ccccc4)cc3[nH]c2=O)c2ccccc2n1CCCN.
What is the InChIKey of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one?
The InChIKey is RTOZTENABYOOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O.C2H4O2/c1-2-23-25(20-11-6-7-12-24(20)31(23)16-8-15-28)26-27(32)30-22-17-19(13-14-21(22)29-26)18-9-4-3-5-10-18;1-2(3)4/h3-7,9-14,17H,2,8,15-16,28H2,1H3,(H,30,32);1H3,(H,3,4).
What are the key properties of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one?
acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one has a molecular weight of 482.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-7-phenyl-1H-quinoxalin-2-one is sourced from PubChem (CID 67565739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).