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

C23H18ClFN4O3 — CID 51369473

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H18ClFN4O3/c24-17-9-13(5-8-18(17)25)11-26-20(30)12-29-19-4-2-1-3-15(19)16(10-21(29)31)23-27-22(28-32-23)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H,26,30)
InChIKeyHDWMNEBLDZHWKH-UHFFFAOYSA-N
MW452.87 g/mol
LogP4.04
Rot. Bonds6

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

N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide (PubChem CID 51369473) has the molecular formula C23H18ClFN4O3 and a molecular weight of 452.87 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
PubChem CID51369473
Molecular FormulaC23H18ClFN4O3
Molecular Weight452.87 g/mol
Exact Mass452.11
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C23H18ClFN4O3/c24-17-9-13(5-8-18(17)25)11-26-20(30)12-29-19-4-2-1-3-15(19)16(10-21(29)31)23-27-22(28-32-23)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H,26,30)
InChIKeyHDWMNEBLDZHWKH-UHFFFAOYSA-N
XLogP4.04
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-bromophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369476
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 51369471
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 51369422
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53143847
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
CID 51369426
N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369396
N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369407
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489777
N-[(2-methylphenyl)methyl]-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369510
N-[(2-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide (CID 51369473) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide is O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The InChIKey is HDWMNEBLDZHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3/c24-17-9-13(5-8-18(17)25)11-26-20(30)12-29-19-4-2-1-3-15(19)16(10-21(29)31)23-27-22(28-32-23)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H,26,30).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide has a molecular weight of 452.87 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 51369473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).