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

C26H17F3N4O4 — CID 67204697

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccc(OC(F)(F)F)cc34)o2)cc1
InChIInChI=1S/C26H17F3N4O4/c1-35-17-9-7-16(8-10-17)24-32-33-25(36-24)31-23(34)20-14-22(15-5-3-2-4-6-15)30-21-12-11-18(13-19(20)21)37-26(27,28)29/h2-14H,1H3,(H,31,33,34)
InChIKeyUZQVIWUUWPRSTJ-UHFFFAOYSA-N
MW506.44 g/mol
LogP6.11
Rot. Bonds6

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

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide (PubChem CID 67204697) has the molecular formula C26H17F3N4O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
PubChem CID67204697
Molecular FormulaC26H17F3N4O4
Molecular Weight506.44 g/mol
Exact Mass506.12
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccc(OC(F)(F)F)cc34)o2)cc1
InChIInChI=1S/C26H17F3N4O4/c1-35-17-9-7-16(8-10-17)24-32-33-25(36-24)31-23(34)20-14-22(15-5-3-2-4-6-15)30-21-12-11-18(13-19(20)21)37-26(27,28)29/h2-14H,1H3,(H,31,33,34)
InChIKeyUZQVIWUUWPRSTJ-UHFFFAOYSA-N
XLogP6.11
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide (CID 67204697) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccc(OC(F)(F)F)cc34)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
The InChIKey is UZQVIWUUWPRSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O4/c1-35-17-9-7-16(8-10-17)24-32-33-25(36-24)31-23(34)20-14-22(15-5-3-2-4-6-15)30-21-12-11-18(13-19(20)21)37-26(27,28)29/h2-14H,1H3,(H,31,33,34).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 67204697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).