7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol

C15H21NO2 — CID 90058164

IUPAC7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol
SMILESCCCCCC1=Cc2ccc(OC)cc2NC1O
InChIInChI=1S/C15H21NO2/c1-3-4-5-6-12-9-11-7-8-13(18-2)10-14(11)16-15(12)17/h7-10,15-17H,3-6H2,1-2H3
InChIKeyCHXKWWLVMGPPSR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds5

About 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol

7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol (PubChem CID 90058164) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol.

Molecular Properties

Compound Name7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol
PubChem CID90058164
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol
SMILESCCCCCC1=Cc2ccc(OC)cc2NC1O
InChIInChI=1S/C15H21NO2/c1-3-4-5-6-12-9-11-7-8-13(18-2)10-14(11)16-15(12)17/h7-10,15-17H,3-6H2,1-2H3
InChIKeyCHXKWWLVMGPPSR-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
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-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol?
The IUPAC name of 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol (CID 90058164) is 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol.
What is the SMILES notation for 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol?
The canonical SMILES for 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol is CCCCCC1=Cc2ccc(OC)cc2NC1O.
What is the InChIKey of 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol?
The InChIKey is CHXKWWLVMGPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-5-6-12-9-11-7-8-13(18-2)10-14(11)16-15(12)17/h7-10,15-17H,3-6H2,1-2H3.
What are the key properties of 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol?
7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol has a molecular weight of 247.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol is sourced from PubChem (CID 90058164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).