2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol

C18H26FN3O — CID 69302600

IUPAC2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol
SMILESCCN(CCO)CCCCN(C)c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H26FN3O/c1-3-22(12-13-23)11-5-4-10-21(2)18-8-9-20-17-14-15(19)6-7-16(17)18/h6-9,14,23H,3-5,10-13H2,1-2H3
InChIKeyKBEHCTUCLNZYOI-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.90
Rot. Bonds9

About 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol

2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol (PubChem CID 69302600) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol
PubChem CID69302600
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol
SMILESCCN(CCO)CCCCN(C)c1ccnc2cc(F)ccc12
InChIInChI=1S/C18H26FN3O/c1-3-22(12-13-23)11-5-4-10-21(2)18-8-9-20-17-14-15(19)6-7-16(17)18/h6-9,14,23H,3-5,10-13H2,1-2H3
InChIKeyKBEHCTUCLNZYOI-UHFFFAOYSA-N
XLogP2.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.90
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 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol (CID 69302600) is 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol is CCN(CCO)CCCCN(C)c1ccnc2cc(F)ccc12.
What is the InChIKey of 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol?
The InChIKey is KBEHCTUCLNZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-3-22(12-13-23)11-5-4-10-21(2)18-8-9-20-17-14-15(19)6-7-16(17)18/h6-9,14,23H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol?
2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol has a molecular weight of 319.42 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-[(7-fluoroquinolin-4-yl)-methylamino]butyl]amino]ethanol is sourced from PubChem (CID 69302600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).