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

C26H33N3O — CID 10949464

IUPACN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine
SMILESc1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)
InChIKeyCZZFMTVEVADYHA-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.53
Rot. Bonds10

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

N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine (PubChem CID 10949464) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine
PubChem CID10949464
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine
SMILESc1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)
InChIKeyCZZFMTVEVADYHA-UHFFFAOYSA-N
XLogP5.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.53
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 N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine?
The IUPAC name of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine (CID 10949464) is N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine.
What is the SMILES notation for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine?
The canonical SMILES for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine is c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine?
The InChIKey is CZZFMTVEVADYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28).
What are the key properties of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine?
N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine has a molecular weight of 403.57 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine is sourced from PubChem (CID 10949464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).