[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate

C28H24N2O3 — CID 5005775

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C28H24N2O3/c1-18-16-21-12-6-9-15-24(21)30(18)25(31)17-33-28(32)26-19(2)27(20-10-4-3-5-11-20)29-23-14-8-7-13-22(23)26/h3-15,18H,16-17H2,1-2H3
InChIKeyKAMAWEWXFGEQRC-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.34
Rot. Bonds4

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate (PubChem CID 5005775) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
PubChem CID5005775
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C28H24N2O3/c1-18-16-21-12-6-9-15-24(21)30(18)25(31)17-33-28(32)26-19(2)27(20-10-4-3-5-11-20)29-23-14-8-7-13-22(23)26/h3-15,18H,16-17H2,1-2H3
InChIKeyKAMAWEWXFGEQRC-UHFFFAOYSA-N
XLogP5.34
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2372667
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(4-hydroxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3298184
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 11930373
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 5161370
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98409139
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2631739
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170450
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078937
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 9321440

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate (CID 5005775) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
The InChIKey is KAMAWEWXFGEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-18-16-21-12-6-9-15-24(21)30(18)25(31)17-33-28(32)26-19(2)27(20-10-4-3-5-11-20)29-23-14-8-7-13-22(23)26/h3-15,18H,16-17H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 5005775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).