6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine

C23H26ClN3O — CID 162654390

IUPAC6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine
SMILESClc1ccc2nc(-c3ccccc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C23H26ClN3O/c24-19-8-9-21-20(16-19)23(17-22(26-21)18-6-2-1-3-7-18)25-10-4-5-11-27-12-14-28-15-13-27/h1-3,6-9,16-17H,4-5,10-15H2,(H,25,26)
InChIKeyJJVSOWXQEDZRFH-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.08
Rot. Bonds7

About 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine

6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine (PubChem CID 162654390) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine
PubChem CID162654390
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine
SMILESClc1ccc2nc(-c3ccccc3)cc(NCCCCN3CCOCC3)c2c1
InChIInChI=1S/C23H26ClN3O/c24-19-8-9-21-20(16-19)23(17-22(26-21)18-6-2-1-3-7-18)25-10-4-5-11-27-12-14-28-15-13-27/h1-3,6-9,16-17H,4-5,10-15H2,(H,25,26)
InChIKeyJJVSOWXQEDZRFH-UHFFFAOYSA-N
XLogP5.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.08
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 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine?
The IUPAC name of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine (CID 162654390) is 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine?
The canonical SMILES for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine is Clc1ccc2nc(-c3ccccc3)cc(NCCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine?
The InChIKey is JJVSOWXQEDZRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-19-8-9-21-20(16-19)23(17-22(26-21)18-6-2-1-3-7-18)25-10-4-5-11-27-12-14-28-15-13-27/h1-3,6-9,16-17H,4-5,10-15H2,(H,25,26).
What are the key properties of 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine?
6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine has a molecular weight of 395.93 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine is sourced from PubChem (CID 162654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).