[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

C34H29N3O3 — CID 23831523

IUPAC[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCc1ccc(-c2nc3ccc(C(=O)OCCC(=O)N4CCc5ccccc54)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C34H29N3O3/c1-22-7-11-25(12-8-22)32-33(26-13-9-23(2)10-14-26)36-29-21-27(15-16-28(29)35-32)34(39)40-20-18-31(38)37-19-17-24-5-3-4-6-30(24)37/h3-16,21H,17-20H2,1-2H3
InChIKeyIANIGQHYAQRLRL-UHFFFAOYSA-N
MW527.62 g/mol
LogP6.72
Rot. Bonds6

About [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate (PubChem CID 23831523) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
PubChem CID23831523
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
SMILESCc1ccc(-c2nc3ccc(C(=O)OCCC(=O)N4CCc5ccccc54)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C34H29N3O3/c1-22-7-11-25(12-8-22)32-33(26-13-9-23(2)10-14-26)36-29-21-27(15-16-28(29)35-32)34(39)40-20-18-31(38)37-19-17-24-5-3-4-6-30(24)37/h3-16,21H,17-20H2,1-2H3
InChIKeyIANIGQHYAQRLRL-UHFFFAOYSA-N
XLogP6.72
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23831643
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23802826
1-(2,3-dihydroindol-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 2095629
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 126188565
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6522843
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736542
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604678
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 23933527
[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744301

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The IUPAC name of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate (CID 23831523) is [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate is Cc1ccc(-c2nc3ccc(C(=O)OCCC(=O)N4CCc5ccccc54)cc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
The InChIKey is IANIGQHYAQRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-22-7-11-25(12-8-22)32-33(26-13-9-23(2)10-14-26)36-29-21-27(15-16-28(29)35-32)34(39)40-20-18-31(38)37-19-17-24-5-3-4-6-30(24)37/h3-16,21H,17-20H2,1-2H3.
What are the key properties of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate?
[3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate has a molecular weight of 527.62 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23831523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).