N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide

C14H9F3N4O2 — CID 68510494

IUPACN-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCc1nnco1)c1cnc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)10-2-1-8-3-9(5-18-11(8)4-10)13(22)19-6-12-21-20-7-23-12/h1-5,7H,6H2,(H,19,22)
InChIKeySGDPNRVNUOTNQD-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.57
Rot. Bonds3

About N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide

N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 68510494) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID68510494
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC NameN-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCc1nnco1)c1cnc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)10-2-1-8-3-9(5-18-11(8)4-10)13(22)19-6-12-21-20-7-23-12/h1-5,7H,6H2,(H,19,22)
InChIKeySGDPNRVNUOTNQD-UHFFFAOYSA-N
XLogP2.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide (CID 68510494) is N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide is O=C(NCc1nnco1)c1cnc2cc(C(F)(F)F)ccc2c1.
What is the InChIKey of N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is SGDPNRVNUOTNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)10-2-1-8-3-9(5-18-11(8)4-10)13(22)19-6-12-21-20-7-23-12/h1-5,7H,6H2,(H,19,22).
What are the key properties of N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide?
N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 322.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-oxadiazol-2-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 68510494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).