4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H15F2N5O — CID 170643099

IUPAC4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1ccnc2cc(-c3ccn4nc(N)nc(OCC(F)F)c34)ccc12
InChIInChI=1S/C18H15F2N5O/c1-10-4-6-22-14-8-11(2-3-12(10)14)13-5-7-25-16(13)17(23-18(21)24-25)26-9-15(19)20/h2-8,15H,9H2,1H3,(H2,21,24)
InChIKeyJFVZTPRPQCCFGO-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.48
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170643099) has the molecular formula C18H15F2N5O and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170643099
Molecular FormulaC18H15F2N5O
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCc1ccnc2cc(-c3ccn4nc(N)nc(OCC(F)F)c34)ccc12
InChIInChI=1S/C18H15F2N5O/c1-10-4-6-22-14-8-11(2-3-12(10)14)13-5-7-25-16(13)17(23-18(21)24-25)26-9-15(19)20/h2-8,15H,9H2,1H3,(H2,21,24)
InChIKeyJFVZTPRPQCCFGO-UHFFFAOYSA-N
XLogP3.48
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine 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 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170643099) is 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is Cc1ccnc2cc(-c3ccn4nc(N)nc(OCC(F)F)c34)ccc12.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is JFVZTPRPQCCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O/c1-10-4-6-22-14-8-11(2-3-12(10)14)13-5-7-25-16(13)17(23-18(21)24-25)26-9-15(19)20/h2-8,15H,9H2,1H3,(H2,21,24).
What are the key properties of 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 355.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5-(4-methylquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170643099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).