acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one

C24H26Cl2N4O3 — CID 173277882

IUPACacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one
SMILESCC(=O)O.CCc1c(-c2nc3cc(Cl)c(Cl)cc3n(C)c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C22H22Cl2N4O.C2H4O2/c1-3-17-20(13-7-4-5-8-18(13)28(17)10-6-9-25)21-22(29)27(2)19-12-15(24)14(23)11-16(19)26-21;1-2(3)4/h4-5,7-8,11-12H,3,6,9-10,25H2,1-2H3;1H3,(H,3,4)
InChIKeyKQIBVGZUSVUBEO-UHFFFAOYSA-N
MW489.40 g/mol
LogP4.86
Rot. Bonds5

About acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one

acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one (PubChem CID 173277882) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one.

Molecular Properties

Compound Nameacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one
PubChem CID173277882
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Nameacetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one
SMILESCC(=O)O.CCc1c(-c2nc3cc(Cl)c(Cl)cc3n(C)c2=O)c2ccccc2n1CCCN
InChIInChI=1S/C22H22Cl2N4O.C2H4O2/c1-3-17-20(13-7-4-5-8-18(13)28(17)10-6-9-25)21-22(29)27(2)19-12-15(24)14(23)11-16(19)26-21;1-2(3)4/h4-5,7-8,11-12H,3,6,9-10,25H2,1-2H3;1H3,(H,3,4)
InChIKeyKQIBVGZUSVUBEO-UHFFFAOYSA-N
XLogP4.86
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one?
The IUPAC name of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one (CID 173277882) is acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one.
What is the SMILES notation for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one?
The canonical SMILES for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one is CC(=O)O.CCc1c(-c2nc3cc(Cl)c(Cl)cc3n(C)c2=O)c2ccccc2n1CCCN.
What is the InChIKey of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one?
The InChIKey is KQIBVGZUSVUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O.C2H4O2/c1-3-17-20(13-7-4-5-8-18(13)28(17)10-6-9-25)21-22(29)27(2)19-12-15(24)14(23)11-16(19)26-21;1-2(3)4/h4-5,7-8,11-12H,3,6,9-10,25H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one?
acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one has a molecular weight of 489.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-[1-(3-aminopropyl)-2-ethylindol-3-yl]-6,7-dichloro-1-methylquinoxalin-2-one is sourced from PubChem (CID 173277882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).