2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide

C23H18F2N4O3 — CID 51369471

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O3/c24-15-8-7-14(18(25)9-15)11-26-20(30)12-29-19-4-2-1-3-16(19)17(10-21(29)31)23-27-22(28-32-23)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,26,30)
InChIKeyXZMIFQXYJMBTCG-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.52
Rot. Bonds6

About 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide (PubChem CID 51369471) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
PubChem CID51369471
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O3/c24-15-8-7-14(18(25)9-15)11-26-20(30)12-29-19-4-2-1-3-16(19)17(10-21(29)31)23-27-22(28-32-23)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,26,30)
InChIKeyXZMIFQXYJMBTCG-UHFFFAOYSA-N
XLogP3.52
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide (CID 51369471) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide is O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide?
The InChIKey is XZMIFQXYJMBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c24-15-8-7-14(18(25)9-15)11-26-20(30)12-29-19-4-2-1-3-16(19)17(10-21(29)31)23-27-22(28-32-23)13-5-6-13/h1-4,7-10,13H,5-6,11-12H2,(H,26,30).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide has a molecular weight of 436.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 51369471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).