N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C21H21N3O3 — CID 51127880

IUPACN-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCCn1ccc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc21
InChIInChI=1S/C21H21N3O3/c1-2-24-10-9-15-11-16(4-7-19(15)24)22-21(26)13-27-17-5-6-18-14(12-17)3-8-20(25)23-18/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyBJCNNDLWMURFGU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.56
Rot. Bonds5

About N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 51127880) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID51127880
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCCn1ccc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc21
InChIInChI=1S/C21H21N3O3/c1-2-24-10-9-15-11-16(4-7-19(15)24)22-21(26)13-27-17-5-6-18-14(12-17)3-8-20(25)23-18/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyBJCNNDLWMURFGU-UHFFFAOYSA-N
XLogP3.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 51127880) is N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is CCn1ccc2cc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)ccc21.
What is the InChIKey of N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is BJCNNDLWMURFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-24-10-9-15-11-16(4-7-19(15)24)22-21(26)13-27-17-5-6-18-14(12-17)3-8-20(25)23-18/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindol-5-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 51127880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).