7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline

C24H27ClN2O — CID 58513838

IUPAC7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline
SMILESClc1ccc2c(Cc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C24H27ClN2O/c25-21-7-10-23-20(11-12-26-24(23)18-21)17-19-5-8-22(9-6-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,18H,1-4,13-17H2
InChIKeyCFRSWOPTIHWPTR-UHFFFAOYSA-N
MW394.95 g/mol
LogP5.73
Rot. Bonds7

About 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline

7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline (PubChem CID 58513838) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline
PubChem CID58513838
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline
SMILESClc1ccc2c(Cc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C24H27ClN2O/c25-21-7-10-23-20(11-12-26-24(23)18-21)17-19-5-8-22(9-6-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,18H,1-4,13-17H2
InChIKeyCFRSWOPTIHWPTR-UHFFFAOYSA-N
XLogP5.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline?
The IUPAC name of 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline (CID 58513838) is 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline.
What is the SMILES notation for 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline?
The canonical SMILES for 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline is Clc1ccc2c(Cc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline?
The InChIKey is CFRSWOPTIHWPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c25-21-7-10-23-20(11-12-26-24(23)18-21)17-19-5-8-22(9-6-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,18H,1-4,13-17H2.
What are the key properties of 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline?
7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline has a molecular weight of 394.95 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinoline is sourced from PubChem (CID 58513838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).