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

C25H30ClN3O — CID 10873565

IUPAC7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C25H30ClN3O/c26-21-7-10-23-24(12-14-28-25(23)19-21)27-13-11-20-5-8-22(9-6-20)30-18-4-17-29-15-2-1-3-16-29/h5-10,12,14,19H,1-4,11,13,15-18H2,(H,27,28)
InChIKeyKFFMRYQMDWYABB-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.80
Rot. Bonds9

About 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine

7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine (PubChem CID 10873565) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
PubChem CID10873565
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC Name7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine
SMILESClc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C25H30ClN3O/c26-21-7-10-23-24(12-14-28-25(23)19-21)27-13-11-20-5-8-22(9-6-20)30-18-4-17-29-15-2-1-3-16-29/h5-10,12,14,19H,1-4,11,13,15-18H2,(H,27,28)
InChIKeyKFFMRYQMDWYABB-UHFFFAOYSA-N
XLogP5.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.80
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-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine (CID 10873565) is 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine is Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
The InChIKey is KFFMRYQMDWYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c26-21-7-10-23-24(12-14-28-25(23)19-21)27-13-11-20-5-8-22(9-6-20)30-18-4-17-29-15-2-1-3-16-29/h5-10,12,14,19H,1-4,11,13,15-18H2,(H,27,28).
What are the key properties of 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine has a molecular weight of 423.99 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 10873565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).