5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine

C19H24F3N3O3 — CID 4306094

IUPAC5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(OC)c2c(NCCCN3CCOCC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C19H24F3N3O3/c1-26-14-4-5-15(27-2)18-17(14)13(12-16(24-18)19(20,21)22)23-6-3-7-25-8-10-28-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,23,24)
InChIKeyXMCQATNQEWDHDC-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.40
Rot. Bonds7

About 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine

5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 4306094) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine
PubChem CID4306094
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Name5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1ccc(OC)c2c(NCCCN3CCOCC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C19H24F3N3O3/c1-26-14-4-5-15(27-2)18-17(14)13(12-16(24-18)19(20,21)22)23-6-3-7-25-8-10-28-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,23,24)
InChIKeyXMCQATNQEWDHDC-UHFFFAOYSA-N
XLogP3.40
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-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 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine (CID 4306094) is 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine is COc1ccc(OC)c2c(NCCCN3CCOCC3)cc(C(F)(F)F)nc12.
What is the InChIKey of 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is XMCQATNQEWDHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-26-14-4-5-15(27-2)18-17(14)13(12-16(24-18)19(20,21)22)23-6-3-7-25-8-10-28-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H,23,24).
What are the key properties of 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine?
5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 399.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 4306094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).