N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

C23H21ClN4O3 — CID 51369396

IUPACN-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3Cl)c3ccccc23)n1
InChIInChI=1S/C23H21ClN4O3/c1-14(2)22-26-23(31-27-22)17-11-21(30)28(19-10-6-4-8-16(17)19)13-20(29)25-12-15-7-3-5-9-18(15)24/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyKBYQAKQMQJGFJT-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.14
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369396) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369396
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3Cl)c3ccccc23)n1
InChIInChI=1S/C23H21ClN4O3/c1-14(2)22-26-23(31-27-22)17-11-21(30)28(19-10-6-4-8-16(17)19)13-20(29)25-12-15-7-3-5-9-18(15)24/h3-11,14H,12-13H2,1-2H3,(H,25,29)
InChIKeyKBYQAKQMQJGFJT-UHFFFAOYSA-N
XLogP4.14
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
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-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53143847
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369473
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-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
N-[(4-bromophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369476
ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
CID 51369703

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (CID 51369396) is N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is CC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3Cl)c3ccccc23)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is KBYQAKQMQJGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14(2)22-26-23(31-27-22)17-11-21(30)28(19-10-6-4-8-16(17)19)13-20(29)25-12-15-7-3-5-9-18(15)24/h3-11,14H,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 436.90 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).