3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

C21H21N3O2 — CID 110746234

IUPAC3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-14-12-13-24(19-9-5-2-6-15(14)19)20(25)11-10-18-21(26)23-17-8-4-3-7-16(17)22-18/h2-9,14H,10-13H2,1H3,(H,23,26)
InChIKeyYRSOANFCHBUFEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds3

About 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (PubChem CID 110746234) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
PubChem CID110746234
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-14-12-13-24(19-9-5-2-6-15(14)19)20(25)11-10-18-21(26)23-17-8-4-3-7-16(17)22-18/h2-9,14H,10-13H2,1H3,(H,23,26)
InChIKeyYRSOANFCHBUFEE-UHFFFAOYSA-N
XLogP3.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
3-[3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 95188441
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418
3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
CID 97140516

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (CID 110746234) is 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)c2ccccc21.
What is the InChIKey of 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The InChIKey is YRSOANFCHBUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-12-13-24(19-9-5-2-6-15(14)19)20(25)11-10-18-21(26)23-17-8-4-3-7-16(17)22-18/h2-9,14H,10-13H2,1H3,(H,23,26).
What are the key properties of 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 110746234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).