6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine

C24H33F3N4O2 — CID 118613693

IUPAC6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H33F3N4O2/c1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31/h14-17H,3-13H2,1-2H3,(H,28,29)
InChIKeyUXDIXDDGEATWIR-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.63
Rot. Bonds8

About 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine

6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 118613693) has the molecular formula C24H33F3N4O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
PubChem CID118613693
Molecular FormulaC24H33F3N4O2
Molecular Weight466.55 g/mol
Exact Mass466.26
IUPAC Name6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H33F3N4O2/c1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31/h14-17H,3-13H2,1-2H3,(H,28,29)
InChIKeyUXDIXDDGEATWIR-UHFFFAOYSA-N
XLogP4.63
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-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 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine (CID 118613693) is 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(C(F)(F)F)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is UXDIXDDGEATWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N4O2/c1-30-11-6-17(7-12-30)28-20-16-23(24(25,26)27)29-19-15-22(21(32-2)14-18(19)20)33-13-5-10-31-8-3-4-9-31/h14-17H,3-13H2,1-2H3,(H,28,29).
What are the key properties of 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine?
6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 466.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 118613693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).