3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one

C20H19N3O2 — CID 86812574

IUPAC3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCC(=O)N1CCc2cc(NCc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O2/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25)
InChIKeyZMQUYBRIAACHOB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.05
Rot. Bonds3

About 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one

3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 86812574) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID86812574
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCC(=O)N1CCc2cc(NCc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O2/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25)
InChIKeyZMQUYBRIAACHOB-UHFFFAOYSA-N
XLogP3.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

1-acetyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110324349
3-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 167947111
3-[3-oxo-3-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propyl]-1H-quinolin-2-one
CID 110355057
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 18193397
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one (CID 86812574) is 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one is CC(=O)N1CCc2cc(NCc3cc4ccccc4[nH]c3=O)ccc21.
What is the InChIKey of 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is ZMQUYBRIAACHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(24)23-9-8-15-11-17(6-7-19(15)23)21-12-16-10-14-4-2-3-5-18(14)22-20(16)25/h2-7,10-11,21H,8-9,12H2,1H3,(H,22,25).
What are the key properties of 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one?
3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 86812574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).