2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide

C21H21N3O2 — CID 90651519

IUPAC2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide
SMILESCN1C(=O)CC(CNC(=O)Cn2ccc3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-19-9-5-3-7-17(19)16(12-21(23)26)13-22-20(25)14-24-11-10-15-6-2-4-8-18(15)24/h2-11,16H,12-14H2,1H3,(H,22,25)
InChIKeyRQIHXQXJLVZZLH-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.91
Rot. Bonds4

About 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide

2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide (PubChem CID 90651519) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide
PubChem CID90651519
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide
SMILESCN1C(=O)CC(CNC(=O)Cn2ccc3ccccc32)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-23-19-9-5-3-7-17(19)16(12-21(23)26)13-22-20(25)14-24-11-10-15-6-2-4-8-18(15)24/h2-11,16H,12-14H2,1H3,(H,22,25)
InChIKeyRQIHXQXJLVZZLH-UHFFFAOYSA-N
XLogP2.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide (CID 90651519) is 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide is CN1C(=O)CC(CNC(=O)Cn2ccc3ccccc32)c2ccccc21.
What is the InChIKey of 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide?
The InChIKey is RQIHXQXJLVZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23-19-9-5-3-7-17(19)16(12-21(23)26)13-22-20(25)14-24-11-10-15-6-2-4-8-18(15)24/h2-11,16H,12-14H2,1H3,(H,22,25).
What are the key properties of 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide?
2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 90651519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).