6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one

C16H18N4O3 — CID 72877701

IUPAC6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CNCCOc3nonc3C)cc(=O)c2c1
InChIInChI=1S/C16H18N4O3/c1-10-3-4-14-13(7-10)15(21)8-12(18-14)9-17-5-6-22-16-11(2)19-23-20-16/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,21)
InChIKeyZBUPUIMVHMNIAK-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.70
Rot. Bonds6

About 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one

6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one (PubChem CID 72877701) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one
PubChem CID72877701
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CNCCOc3nonc3C)cc(=O)c2c1
InChIInChI=1S/C16H18N4O3/c1-10-3-4-14-13(7-10)15(21)8-12(18-14)9-17-5-6-22-16-11(2)19-23-20-16/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,21)
InChIKeyZBUPUIMVHMNIAK-UHFFFAOYSA-N
XLogP1.70
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
CID 72887662
2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 134080266
6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
2-(ethylaminomethyl)-1H-quinolin-4-one
CID 71077140
2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931387
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one
CID 46355425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one (CID 72877701) is 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CNCCOc3nonc3C)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one?
The InChIKey is ZBUPUIMVHMNIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-3-4-14-13(7-10)15(21)8-12(18-14)9-17-5-6-22-16-11(2)19-23-20-16/h3-4,7-8,17H,5-6,9H2,1-2H3,(H,18,21).
What are the key properties of 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one?
6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one has a molecular weight of 314.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72877701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).