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

C27H35N3O — CID 11080253

IUPACN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine
SMILESc1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C27H35N3O/c1-6-19-30(20-7-1)21-8-22-31-24-14-12-23(13-15-24)9-4-5-17-28-27-16-18-29-26-11-3-2-10-25(26)27/h2-3,10-16,18H,1,4-9,17,19-22H2,(H,28,29)
InChIKeyIDIWNMVUKUTAIK-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.92
Rot. Bonds11

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

N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine (PubChem CID 11080253) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine
PubChem CID11080253
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC NameN-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine
SMILESc1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C27H35N3O/c1-6-19-30(20-7-1)21-8-22-31-24-14-12-23(13-15-24)9-4-5-17-28-27-16-18-29-26-11-3-2-10-25(26)27/h2-3,10-16,18H,1,4-9,17,19-22H2,(H,28,29)
InChIKeyIDIWNMVUKUTAIK-UHFFFAOYSA-N
XLogP5.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.92
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-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine?
The IUPAC name of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine (CID 11080253) is N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine.
What is the SMILES notation for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine?
The canonical SMILES for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine is c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine?
The InChIKey is IDIWNMVUKUTAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-6-19-30(20-7-1)21-8-22-31-24-14-12-23(13-15-24)9-4-5-17-28-27-16-18-29-26-11-3-2-10-25(26)27/h2-3,10-16,18H,1,4-9,17,19-22H2,(H,28,29).
What are the key properties of N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine?
N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine has a molecular weight of 417.60 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]butyl]quinolin-4-amine is sourced from PubChem (CID 11080253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).