3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one

C19H23FN4O2 — CID 46996431

IUPAC3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H23FN4O2/c1-4-24(11-17-22-18(26-23-17)7-12(2)3)10-14-8-13-5-6-15(20)9-16(13)21-19(14)25/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25)
InChIKeyAOYBFEPZVOTQAN-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.27
Rot. Bonds7

About 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one

3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 46996431) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one
PubChem CID46996431
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one
SMILESCCN(Cc1noc(CC(C)C)n1)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H23FN4O2/c1-4-24(11-17-22-18(26-23-17)7-12(2)3)10-14-8-13-5-6-15(20)9-16(13)21-19(14)25/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25)
InChIKeyAOYBFEPZVOTQAN-UHFFFAOYSA-N
XLogP3.27
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one (CID 46996431) is 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one is CCN(Cc1noc(CC(C)C)n1)Cc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is AOYBFEPZVOTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-4-24(11-17-22-18(26-23-17)7-12(2)3)10-14-8-13-5-6-15(20)9-16(13)21-19(14)25/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25).
What are the key properties of 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one?
3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 358.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 46996431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).