2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C23H34N4O — CID 166633012

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCc1cc(NC2CCN(C)CC2)c2cc(OCCCN3CCCC3)ccc2n1
InChIInChI=1S/C23H34N4O/c1-18-16-23(25-19-8-13-26(2)14-9-19)21-17-20(6-7-22(21)24-18)28-15-5-12-27-10-3-4-11-27/h6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,24,25)
InChIKeyDIQFEQUOPUGKGA-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.91
Rot. Bonds7

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

2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 166633012) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID166633012
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCc1cc(NC2CCN(C)CC2)c2cc(OCCCN3CCCC3)ccc2n1
InChIInChI=1S/C23H34N4O/c1-18-16-23(25-19-8-13-26(2)14-9-19)21-17-20(6-7-22(21)24-18)28-15-5-12-27-10-3-4-11-27/h6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,24,25)
InChIKeyDIQFEQUOPUGKGA-UHFFFAOYSA-N
XLogP3.91
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 166633012) is 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is Cc1cc(NC2CCN(C)CC2)c2cc(OCCCN3CCCC3)ccc2n1.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is DIQFEQUOPUGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-18-16-23(25-19-8-13-26(2)14-9-19)21-17-20(6-7-22(21)24-18)28-15-5-12-27-10-3-4-11-27/h6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,24,25).
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 382.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 166633012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).