N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

C21H17ClN4O3 — CID 53162176

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C21H17ClN4O3/c1-12-8-17(18(28-2)10-15(12)22)24-19(27)11-20-25-26-21(29-20)14-5-6-16-13(9-14)4-3-7-23-16/h3-10H,11H2,1-2H3,(H,24,27)
InChIKeyVJCQPDCPCVISOI-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.44
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162176) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162176
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C21H17ClN4O3/c1-12-8-17(18(28-2)10-15(12)22)24-19(27)11-20-25-26-21(29-20)14-5-6-16-13(9-14)4-3-7-23-16/h3-10H,11H2,1-2H3,(H,24,27)
InChIKeyVJCQPDCPCVISOI-UHFFFAOYSA-N
XLogP4.44
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162148
N-(4-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162164
N-[(2-ethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162200
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333731
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
4-chloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxy-5-methylaniline
CID 110652392
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784946

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162176) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is VJCQPDCPCVISOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-12-8-17(18(28-2)10-15(12)22)24-19(27)11-20-25-26-21(29-20)14-5-6-16-13(9-14)4-3-7-23-16/h3-10H,11H2,1-2H3,(H,24,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 408.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).