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

C24H22N4O3 — CID 51369426

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1
InChIInChI=1S/C24H22N4O3/c1-15-6-5-7-17(12-15)27(2)22(30)14-28-20-9-4-3-8-18(20)19(13-21(28)29)24-25-23(26-31-24)16-10-11-16/h3-9,12-13,16H,10-11,14H2,1-2H3
InChIKeyBHVOFGPQEUPQSX-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.90
Rot. Bonds5

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

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide (PubChem CID 51369426) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
PubChem CID51369426
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1
InChIInChI=1S/C24H22N4O3/c1-15-6-5-7-17(12-15)27(2)22(30)14-28-20-9-4-3-8-18(20)19(13-21(28)29)24-25-23(26-31-24)16-10-11-16/h3-9,12-13,16H,10-11,14H2,1-2H3
InChIKeyBHVOFGPQEUPQSX-UHFFFAOYSA-N
XLogP3.90
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
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-(2,5-dimethoxyphenyl)acetamide
CID 51369422
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369473
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
3-[2-(N,3-dimethylanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 22330775
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-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369359
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53143847
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one
CID 51369663
methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate
CID 51369342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide (CID 51369426) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide is Cc1cccc(N(C)C(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The InChIKey is BHVOFGPQEUPQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-6-5-7-17(12-15)27(2)22(30)14-28-20-9-4-3-8-18(20)19(13-21(28)29)24-25-23(26-31-24)16-10-11-16/h3-9,12-13,16H,10-11,14H2,1-2H3.
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-methyl-N-(3-methylphenyl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 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-methyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 51369426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).