2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

C24H29N3O — CID 73050850

IUPAC2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESCOc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26)
InChIKeyCCEQOVGPLKQKET-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.20
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (PubChem CID 73050850) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
PubChem CID73050850
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESCOc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26)
InChIKeyCCEQOVGPLKQKET-UHFFFAOYSA-N
XLogP5.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (CID 73050850) is 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is COc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The InChIKey is CCEQOVGPLKQKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-28-20-12-10-19(11-13-20)23-18-24(21-8-3-4-9-22(21)26-23)25-14-7-17-27-15-5-2-6-16-27/h3-4,8-13,18H,2,5-7,14-17H2,1H3,(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine has a molecular weight of 375.52 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 73050850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).