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

C27H36N4O3 — CID 118613617

IUPAC2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccoc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H36N4O3/c1-30-12-6-21(7-13-30)28-24-17-23(20-8-15-33-19-20)29-25-18-27(26(32-2)16-22(24)25)34-14-5-11-31-9-3-4-10-31/h8,15-19,21H,3-7,9-14H2,1-2H3,(H,28,29)
InChIKeyGXAJALCTHNRXSM-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.87
Rot. Bonds9

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

2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613617) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613617
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccoc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H36N4O3/c1-30-12-6-21(7-13-30)28-24-17-23(20-8-15-33-19-20)29-25-18-27(26(32-2)16-22(24)25)34-14-5-11-31-9-3-4-10-31/h8,15-19,21H,3-7,9-14H2,1-2H3,(H,28,29)
InChIKeyGXAJALCTHNRXSM-UHFFFAOYSA-N
XLogP4.87
TPSA63.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)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 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613617) is 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccoc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is GXAJALCTHNRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-30-12-6-21(7-13-30)28-24-17-23(20-8-15-33-19-20)29-25-18-27(26(32-2)16-22(24)25)34-14-5-11-31-9-3-4-10-31/h8,15-19,21H,3-7,9-14H2,1-2H3,(H,28,29).
What are the key properties of 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 464.61 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).