2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol

C16H22N2O4 — CID 50951120

IUPAC2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol
SMILESCOc1cc(OC)c2nc(NCCOCCO)cc(C)c2c1
InChIInChI=1S/C16H22N2O4/c1-11-8-15(17-4-6-22-7-5-19)18-16-13(11)9-12(20-2)10-14(16)21-3/h8-10,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyHILDPJXAAUCKRF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.98
Rot. Bonds8

About 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol

2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol (PubChem CID 50951120) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol
PubChem CID50951120
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol
SMILESCOc1cc(OC)c2nc(NCCOCCO)cc(C)c2c1
InChIInChI=1S/C16H22N2O4/c1-11-8-15(17-4-6-22-7-5-19)18-16-13(11)9-12(20-2)10-14(16)21-3/h8-10,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyHILDPJXAAUCKRF-UHFFFAOYSA-N
XLogP1.98
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol (CID 50951120) is 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol is COc1cc(OC)c2nc(NCCOCCO)cc(C)c2c1.
What is the InChIKey of 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
The InChIKey is HILDPJXAAUCKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-8-15(17-4-6-22-7-5-19)18-16-13(11)9-12(20-2)10-14(16)21-3/h8-10,19H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol?
2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol has a molecular weight of 306.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 50951120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).