N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide

C18H13F3N4O2 — CID 137379332

IUPACN-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Oc2cnc(C(F)(F)F)cn2)c2ncccc12
InChIInChI=1S/C18H13F3N4O2/c1-2-15(26)24-8-11-5-6-13(17-12(11)4-3-7-22-17)27-16-10-23-14(9-25-16)18(19,20)21/h2-7,9-10H,1,8H2,(H,24,26)
InChIKeyMZJIPSHVCDVPNR-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.64
Rot. Bonds5

About N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide

N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide (PubChem CID 137379332) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide
PubChem CID137379332
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC NameN-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(Oc2cnc(C(F)(F)F)cn2)c2ncccc12
InChIInChI=1S/C18H13F3N4O2/c1-2-15(26)24-8-11-5-6-13(17-12(11)4-3-7-22-17)27-16-10-23-14(9-25-16)18(19,20)21/h2-7,9-10H,1,8H2,(H,24,26)
InChIKeyMZJIPSHVCDVPNR-UHFFFAOYSA-N
XLogP3.64
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide (CID 137379332) is N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(Oc2cnc(C(F)(F)F)cn2)c2ncccc12.
What is the InChIKey of N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide?
The InChIKey is MZJIPSHVCDVPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-2-15(26)24-8-11-5-6-13(17-12(11)4-3-7-22-17)27-16-10-23-14(9-25-16)18(19,20)21/h2-7,9-10H,1,8H2,(H,24,26).
What are the key properties of N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide?
N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide has a molecular weight of 374.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[5-(trifluoromethyl)pyrazin-2-yl]oxyquinolin-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 137379332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).