2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide

C24H23N3O3 — CID 131912053

IUPAC2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
SMILESCC(=O)c1cn(C(C)C(=O)NCCOc2cccc3cccnc23)c2ccccc12
InChIInChI=1S/C24H23N3O3/c1-16(27-15-20(17(2)28)19-9-3-4-10-21(19)27)24(29)26-13-14-30-22-11-5-7-18-8-6-12-25-23(18)22/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)
InChIKeyCLDGATJQZHEGFW-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.15
Rot. Bonds7

About 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide

2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide (PubChem CID 131912053) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
PubChem CID131912053
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
SMILESCC(=O)c1cn(C(C)C(=O)NCCOc2cccc3cccnc23)c2ccccc12
InChIInChI=1S/C24H23N3O3/c1-16(27-15-20(17(2)28)19-9-3-4-10-21(19)27)24(29)26-13-14-30-22-11-5-7-18-8-6-12-25-23(18)22/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)
InChIKeyCLDGATJQZHEGFW-UHFFFAOYSA-N
XLogP4.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-quinolin-8-yloxyethyl)propanamide
CID 97193156
(2S)-2-(3-acetylindol-1-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 125445195
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 137151179
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide (CID 131912053) is 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide is CC(=O)c1cn(C(C)C(=O)NCCOc2cccc3cccnc23)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
The InChIKey is CLDGATJQZHEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16(27-15-20(17(2)28)19-9-3-4-10-21(19)27)24(29)26-13-14-30-22-11-5-7-18-8-6-12-25-23(18)22/h3-12,15-16H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide?
2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-(2-quinolin-8-yloxyethyl)propanamide is sourced from PubChem (CID 131912053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).