[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate

C25H26N2O3 — CID 2417800

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc32)c1CC
InChIInChI=1S/C25H26N2O3/c1-3-9-20-18(4-2)24(19-11-6-7-12-21(19)26-20)25(29)30-16-23(28)27-15-14-17-10-5-8-13-22(17)27/h5-8,10-13H,3-4,9,14-16H2,1-2H3
InChIKeyHEGHKXVYCIXGFF-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.50
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2417800) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2417800
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc32)c1CC
InChIInChI=1S/C25H26N2O3/c1-3-9-20-18(4-2)24(19-11-6-7-12-21(19)26-20)25(29)30-16-23(28)27-15-14-17-10-5-8-13-22(17)27/h5-8,10-13H,3-4,9,14-16H2,1-2H3
InChIKeyHEGHKXVYCIXGFF-UHFFFAOYSA-N
XLogP4.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate (CID 2417800) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc32)c1CC.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is HEGHKXVYCIXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-9-20-18(4-2)24(19-11-6-7-12-21(19)26-20)25(29)30-16-23(28)27-15-14-17-10-5-8-13-22(17)27/h5-8,10-13H,3-4,9,14-16H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2417800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).