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

C29H38N4O2 — CID 118613636

IUPAC6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H38N4O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33/h3-5,9-10,19-21,23H,6-8,11-18H2,1-2H3,(H,30,31)
InChIKeyHUZMGEQBIBBTAM-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.28
Rot. Bonds9

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

6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613636) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613636
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C29H38N4O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33/h3-5,9-10,19-21,23H,6-8,11-18H2,1-2H3,(H,30,31)
InChIKeyHUZMGEQBIBBTAM-UHFFFAOYSA-N
XLogP5.28
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.28
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)-2-phenyl-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 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613636) is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccccc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is HUZMGEQBIBBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-32-16-11-23(12-17-32)30-26-20-25(22-9-4-3-5-10-22)31-27-21-29(28(34-2)19-24(26)27)35-18-8-15-33-13-6-7-14-33/h3-5,9-10,19-21,23H,6-8,11-18H2,1-2H3,(H,30,31).
What are the key properties of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
6-methoxy-N-(1-methylpiperidin-4-yl)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 474.65 g/mol, XLogP of 5.28, 9 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)-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).