[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate

C23H22Cl2N4O3 — CID 67565740

IUPAC[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
SMILESCCc1cccc2c(-c3nc4cc(Cl)c(Cl)cc4n(OC(C)=O)c3=O)cn(CCCN)c12
InChIInChI=1S/C23H22Cl2N4O3/c1-3-14-6-4-7-15-16(12-28(22(14)15)9-5-8-26)21-23(31)29(32-13(2)30)20-11-18(25)17(24)10-19(20)27-21/h4,6-7,10-12H,3,5,8-9,26H2,1-2H3
InChIKeyHIQMVIRXVFTWAU-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.21
Rot. Bonds6

About [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate

[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate (PubChem CID 67565740) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate.

Molecular Properties

Compound Name[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
PubChem CID67565740
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate
SMILESCCc1cccc2c(-c3nc4cc(Cl)c(Cl)cc4n(OC(C)=O)c3=O)cn(CCCN)c12
InChIInChI=1S/C23H22Cl2N4O3/c1-3-14-6-4-7-15-16(12-28(22(14)15)9-5-8-26)21-23(31)29(32-13(2)30)20-11-18(25)17(24)10-19(20)27-21/h4,6-7,10-12H,3,5,8-9,26H2,1-2H3
InChIKeyHIQMVIRXVFTWAU-UHFFFAOYSA-N
XLogP4.21
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate?
The IUPAC name of [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate (CID 67565740) is [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate.
What is the SMILES notation for [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate?
The canonical SMILES for [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate is CCc1cccc2c(-c3nc4cc(Cl)c(Cl)cc4n(OC(C)=O)c3=O)cn(CCCN)c12.
What is the InChIKey of [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate?
The InChIKey is HIQMVIRXVFTWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-3-14-6-4-7-15-16(12-28(22(14)15)9-5-8-26)21-23(31)29(32-13(2)30)20-11-18(25)17(24)10-19(20)27-21/h4,6-7,10-12H,3,5,8-9,26H2,1-2H3.
What are the key properties of [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate?
[3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate has a molecular weight of 473.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-aminopropyl)-7-ethylindol-3-yl]-6,7-dichloro-2-oxoquinoxalin-1-yl] acetate is sourced from PubChem (CID 67565740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).