1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one

C24H24FN5O2 — CID 50771585

IUPAC1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
SMILESCCn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21
InChIInChI=1S/C24H24FN5O2/c1-3-29-14-18(24-27-23(28-32-24)16-5-4-8-26-13-16)22(31)17-11-19(25)21(12-20(17)29)30-9-6-15(2)7-10-30/h4-5,8,11-15H,3,6-7,9-10H2,1-2H3
InChIKeyWRUCYFXWSQBALC-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.51
Rot. Bonds4

About 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one

1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one (PubChem CID 50771585) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
PubChem CID50771585
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
SMILESCCn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21
InChIInChI=1S/C24H24FN5O2/c1-3-29-14-18(24-27-23(28-32-24)16-5-4-8-26-13-16)22(31)17-11-19(25)21(12-20(17)29)30-9-6-15(2)7-10-30/h4-5,8,11-15H,3,6-7,9-10H2,1-2H3
InChIKeyWRUCYFXWSQBALC-UHFFFAOYSA-N
XLogP4.51
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 46297772
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 53086934
1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 7006971
1-ethyl-3-[5-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 45111408
zinc;1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate;1,10-phenanthroline;chloride
CID 71656793
3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-4-one
CID 162667773
6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
CID 70388183
3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-[(3R)-3-methylpiperidin-1-yl]quinolin-4-one
CID 40940230
6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364450

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one (CID 50771585) is 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one is CCn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
The InChIKey is WRUCYFXWSQBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-3-29-14-18(24-27-23(28-32-24)16-5-4-8-26-13-16)22(31)17-11-19(25)21(12-20(17)29)30-9-6-15(2)7-10-30/h4-5,8,11-15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one?
1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one has a molecular weight of 433.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-methylpiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one is sourced from PubChem (CID 50771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).