5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol

C15H20N2O2 — CID 21424700

IUPAC5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
SMILESCOc1ccc2c(NCCCCCO)ccnc2c1
InChIInChI=1S/C15H20N2O2/c1-19-12-5-6-13-14(7-9-17-15(13)11-12)16-8-3-2-4-10-18/h5-7,9,11,18H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyGSODJBOZQAXGBT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.82
Rot. Bonds7

About 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol

5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol (PubChem CID 21424700) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
PubChem CID21424700
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
SMILESCOc1ccc2c(NCCCCCO)ccnc2c1
InChIInChI=1S/C15H20N2O2/c1-19-12-5-6-13-14(7-9-17-15(13)11-12)16-8-3-2-4-10-18/h5-7,9,11,18H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyGSODJBOZQAXGBT-UHFFFAOYSA-N
XLogP2.82
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
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 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol (CID 21424700) is 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol is COc1ccc2c(NCCCCCO)ccnc2c1.
What is the InChIKey of 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol?
The InChIKey is GSODJBOZQAXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-12-5-6-13-14(7-9-17-15(13)11-12)16-8-3-2-4-10-18/h5-7,9,11,18H,2-4,8,10H2,1H3,(H,16,17).
What are the key properties of 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol?
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 21424700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).