N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide

C19H12F3N3O2 — CID 55711742

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccc3ccccc3n2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)11-27-17-8-6-14(9-13(17)10-23)24-18(26)16-7-5-12-3-1-2-4-15(12)25-16/h1-9H,11H2,(H,24,26)
InChIKeyGVHCSAQOPWZKHD-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.30
Rot. Bonds4

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide (PubChem CID 55711742) has the molecular formula C19H12F3N3O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
PubChem CID55711742
Molecular FormulaC19H12F3N3O2
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccc3ccccc3n2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)11-27-17-8-6-14(9-13(17)10-23)24-18(26)16-7-5-12-3-1-2-4-15(12)25-16/h1-9H,11H2,(H,24,26)
InChIKeyGVHCSAQOPWZKHD-UHFFFAOYSA-N
XLogP4.30
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide (CID 55711742) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide is N#Cc1cc(NC(=O)c2ccc3ccccc3n2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide?
The InChIKey is GVHCSAQOPWZKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2/c20-19(21,22)11-27-17-8-6-14(9-13(17)10-23)24-18(26)16-7-5-12-3-1-2-4-15(12)25-16/h1-9H,11H2,(H,24,26).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 55711742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).