6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide

C19H13ClN4O2 — CID 16673322

IUPAC6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C19H13ClN4O2/c20-13-6-7-16-15(10-13)14(8-9-21-16)19(25)22-11-17-23-18(24-26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)
InChIKeyIWPKFTFOGOQTFP-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.87
Rot. Bonds4

About 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide

6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide (PubChem CID 16673322) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
PubChem CID16673322
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C19H13ClN4O2/c20-13-6-7-16-15(10-13)14(8-9-21-16)19(25)22-11-17-23-18(24-26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25)
InChIKeyIWPKFTFOGOQTFP-UHFFFAOYSA-N
XLogP3.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875190
2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6463503
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide (CID 16673322) is 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1ccnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide?
The InChIKey is IWPKFTFOGOQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-13-6-7-16-15(10-13)14(8-9-21-16)19(25)22-11-17-23-18(24-26-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25).
What are the key properties of 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide?
6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 16673322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).