7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine

C23H26ClN3O — CID 10916261

IUPAC7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
InChIKeyKQQJOBYYDOVVTN-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.89
Rot. Bonds7

About 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine

7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine (PubChem CID 10916261) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
PubChem CID10916261
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
InChIKeyKQQJOBYYDOVVTN-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
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 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine (CID 10916261) is 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine is Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The InChIKey is KQQJOBYYDOVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26).
What are the key properties of 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine has a molecular weight of 395.93 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine is sourced from PubChem (CID 10916261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).