acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one

C26H29N5O5 — CID 70207142

IUPACacetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
SMILESCC(=O)O.COc1ccc2c(c1)c(-c1nc3cc4c(cc3[nH]c1=O)N(C(C)=O)CC4)cn2CCCN
InChIInChI=1S/C24H25N5O3.C2H4O2/c1-14(30)29-9-6-15-10-19-20(12-22(15)29)27-24(31)23(26-19)18-13-28(8-3-7-25)21-5-4-16(32-2)11-17(18)21;1-2(3)4/h4-5,10-13H,3,6-9,25H2,1-2H3,(H,27,31);1H3,(H,3,4)
InChIKeyLVODOLCKRHMCIX-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.90
Rot. Bonds5

About acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one

acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one (PubChem CID 70207142) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one.

Molecular Properties

Compound Nameacetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
PubChem CID70207142
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Nameacetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one
SMILESCC(=O)O.COc1ccc2c(c1)c(-c1nc3cc4c(cc3[nH]c1=O)N(C(C)=O)CC4)cn2CCCN
InChIInChI=1S/C24H25N5O3.C2H4O2/c1-14(30)29-9-6-15-10-19-20(12-22(15)29)27-24(31)23(26-19)18-13-28(8-3-7-25)21-5-4-16(32-2)11-17(18)21;1-2(3)4/h4-5,10-13H,3,6-9,25H2,1-2H3,(H,27,31);1H3,(H,3,4)
InChIKeyLVODOLCKRHMCIX-UHFFFAOYSA-N
XLogP2.90
TPSA143.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one?
The IUPAC name of acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one (CID 70207142) is acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one.
What is the SMILES notation for acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one?
The canonical SMILES for acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one is CC(=O)O.COc1ccc2c(c1)c(-c1nc3cc4c(cc3[nH]c1=O)N(C(C)=O)CC4)cn2CCCN.
What is the InChIKey of acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one?
The InChIKey is LVODOLCKRHMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3.C2H4O2/c1-14(30)29-9-6-15-10-19-20(12-22(15)29)27-24(31)23(26-19)18-13-28(8-3-7-25)21-5-4-16(32-2)11-17(18)21;1-2(3)4/h4-5,10-13H,3,6-9,25H2,1-2H3,(H,27,31);1H3,(H,3,4).
What are the key properties of acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one?
acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one has a molecular weight of 491.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-acetyl-2-[1-(3-aminopropyl)-5-methoxyindol-3-yl]-7,8-dihydro-4H-pyrrolo[3,2-g]quinoxalin-3-one is sourced from PubChem (CID 70207142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).