N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine

C25H31N3O — CID 11003651

IUPACN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C25H31N3O/c1-4-17-28(18-5-1)19-6-20-29-22-11-9-21(10-12-22)13-15-26-25-14-16-27-24-8-3-2-7-23(24)25/h2-3,7-12,14,16H,1,4-6,13,15,17-20H2,(H,26,27)
InChIKeyJQUOULNSBQUNHY-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.14
Rot. Bonds9

About N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine

N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine (PubChem CID 11003651) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
PubChem CID11003651
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
SMILESc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C25H31N3O/c1-4-17-28(18-5-1)19-6-20-29-22-11-9-21(10-12-22)13-15-26-25-14-16-27-24-8-3-2-7-23(24)25/h2-3,7-12,14,16H,1,4-6,13,15,17-20H2,(H,26,27)
InChIKeyJQUOULNSBQUNHY-UHFFFAOYSA-N
XLogP5.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.14
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-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The IUPAC name of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine (CID 11003651) is N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine.
What is the SMILES notation for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The canonical SMILES for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine is c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The InChIKey is JQUOULNSBQUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-4-17-28(18-5-1)19-6-20-29-22-11-9-21(10-12-22)13-15-26-25-14-16-27-24-8-3-2-7-23(24)25/h2-3,7-12,14,16H,1,4-6,13,15,17-20H2,(H,26,27).
What are the key properties of N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine has a molecular weight of 389.54 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 11003651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).