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

C18H21FN4O2 — CID 72875175

IUPAC6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one
SMILESCC(C)Cc1noc(C(C)NCc2cc(=O)c3cc(F)ccc3[nH]2)n1
InChIInChI=1S/C18H21FN4O2/c1-10(2)6-17-22-18(25-23-17)11(3)20-9-13-8-16(24)14-7-12(19)4-5-15(14)21-13/h4-5,7-8,10-11,20H,6,9H2,1-3H3,(H,21,24)
InChIKeyLSJBRMBRGVIFNK-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.10
Rot. Bonds6

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

6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one (PubChem CID 72875175) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one
PubChem CID72875175
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one
SMILESCC(C)Cc1noc(C(C)NCc2cc(=O)c3cc(F)ccc3[nH]2)n1
InChIInChI=1S/C18H21FN4O2/c1-10(2)6-17-22-18(25-23-17)11(3)20-9-13-8-16(24)14-7-12(19)4-5-15(14)21-13/h4-5,7-8,10-11,20H,6,9H2,1-3H3,(H,21,24)
InChIKeyLSJBRMBRGVIFNK-UHFFFAOYSA-N
XLogP3.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]propanamide
CID 151934309
N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]butanamide
CID 153523075
N-(4-isopropylphenyl)-2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetamide
CID 16022751
1-(4-{4-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}phenyl)ethanone
CID 16188569
N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735147
N-(2-aminophenyl)-4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735152
(E)-N-[2,3-dioxo-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]but-2-enamide
CID 155542337
US11066396, Example 409
CID 132258925
2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16022719
N-(2,4-Difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-YL)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}acetamide
CID 16022727
7-Fluoro-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17509149
1-((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-isopropylquinazoline-2,4(1H,3H)-dione
CID 30850222

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one (CID 72875175) is 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one is CC(C)Cc1noc(C(C)NCc2cc(=O)c3cc(F)ccc3[nH]2)n1.
What is the InChIKey of 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one?
The InChIKey is LSJBRMBRGVIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-10(2)6-17-22-18(25-23-17)11(3)20-9-13-8-16(24)14-7-12(19)4-5-15(14)21-13/h4-5,7-8,10-11,20H,6,9H2,1-3H3,(H,21,24).
What are the key properties of 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one has a molecular weight of 344.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72875175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).