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

C20H15ClN4O3 — CID 53162148

IUPACN-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1Cl
InChIInChI=1S/C20H15ClN4O3/c1-27-17-7-5-14(10-15(17)21)23-18(26)11-19-24-25-20(28-19)13-4-6-16-12(9-13)3-2-8-22-16/h2-10H,11H2,1H3,(H,23,26)
InChIKeyCFCZVPBWXWNXSF-UHFFFAOYSA-N
MW394.82 g/mol
LogP4.13
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162148) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162148
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1Cl
InChIInChI=1S/C20H15ClN4O3/c1-27-17-7-5-14(10-15(17)21)23-18(26)11-19-24-25-20(28-19)13-4-6-16-12(9-13)3-2-8-22-16/h2-10H,11H2,1H3,(H,23,26)
InChIKeyCFCZVPBWXWNXSF-UHFFFAOYSA-N
XLogP4.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162176
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
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
N-(4-methylphenyl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 86573495
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162148) is N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is COc1ccc(NC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is CFCZVPBWXWNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-27-17-7-5-14(10-15(17)21)23-18(26)11-19-24-25-20(28-19)13-4-6-16-12(9-13)3-2-8-22-16/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 394.82 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).