2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one

C16H17FN4O2 — CID 72881161

IUPAC2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCCN(Cc1noc(C)n1)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C16H17FN4O2/c1-3-21(9-16-18-10(2)23-20-16)8-12-7-15(22)13-6-11(17)4-5-14(13)19-12/h4-7H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyDGXKKQYBPQGORM-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.38
Rot. Bonds5

About 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one

2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 72881161) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID72881161
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCCN(Cc1noc(C)n1)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C16H17FN4O2/c1-3-21(9-16-18-10(2)23-20-16)8-12-7-15(22)13-6-11(17)4-5-14(13)19-12/h4-7H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyDGXKKQYBPQGORM-UHFFFAOYSA-N
XLogP2.38
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
2-[[ethyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931380
2-[[(4-chlorophenyl)methyl-(2-methylpropyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 20931329
8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
CID 72894620
6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
CID 97152784
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
6-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
CID 22580252
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 91778645
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 91786288
5-fluoro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419428
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one (CID 72881161) is 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one is CCN(Cc1noc(C)n1)Cc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is DGXKKQYBPQGORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-3-21(9-16-18-10(2)23-20-16)8-12-7-15(22)13-6-11(17)4-5-14(13)19-12/h4-7H,3,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 316.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 72881161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).