1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea

C15H10F3N5O — CID 24858859

IUPAC1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24)
InChIKeyGHAZVJQMLWOQLP-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.69
Rot. Bonds2

About 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea

1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea (PubChem CID 24858859) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea.

Molecular Properties

Compound Name1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
PubChem CID24858859
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24)
InChIKeyGHAZVJQMLWOQLP-UHFFFAOYSA-N
XLogP3.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The IUPAC name of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea (CID 24858859) is 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea.
What is the SMILES notation for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The canonical SMILES for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea is O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
The InChIKey is GHAZVJQMLWOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24).
What are the key properties of 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea?
1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea has a molecular weight of 333.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea is sourced from PubChem (CID 24858859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).