1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea

C13H12F3N3O — CID 116655765

IUPAC1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(F)(F)F)c2n1
InChIInChI=1S/C13H12F3N3O/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H2,17,19,20)
InChIKeyDAKPUOCLCPQPIQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea

1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116655765) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116655765
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc2cccc(NC(=O)NCC(F)(F)F)c2n1
InChIInChI=1S/C13H12F3N3O/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H2,17,19,20)
InChIKeyDAKPUOCLCPQPIQ-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-methyl-2-pyridinyl)methyl]-3-(2-methylquinolin-8-yl)urea
CID 56790764
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
(E)-1,1,1-trifluoro-4-[(2-methylquinolin-8-yl)amino]pent-3-en-2-one
CID 177451543
1-(2-hydroxy-4-methylpentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431668
1-(2-hydroxypentyl)-3-(2-methylquinolin-8-yl)urea
CID 111431670
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methylquinolin-8-yl)urea
CID 111104482
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116655765) is 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1ccc2cccc(NC(=O)NCC(F)(F)F)c2n1.
What is the InChIKey of 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DAKPUOCLCPQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H2,17,19,20).
What are the key properties of 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 283.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).