1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol

C17H21FN2O — CID 133394062

IUPAC1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)C2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H21FN2O/c1-11-8-16(14-9-13(18)6-7-15(14)20-11)19-10-17(21)12-4-2-3-5-12/h6-9,12,17,21H,2-5,10H2,1H3,(H,19,20)
InChIKeyBRNITCZSDZGPKM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.65
Rot. Bonds4

About 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol

1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol (PubChem CID 133394062) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
PubChem CID133394062
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)C2CCCC2)c2cc(F)ccc2n1
InChIInChI=1S/C17H21FN2O/c1-11-8-16(14-9-13(18)6-7-15(14)20-11)19-10-17(21)12-4-2-3-5-12/h6-9,12,17,21H,2-5,10H2,1H3,(H,19,20)
InChIKeyBRNITCZSDZGPKM-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol (CID 133394062) is 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol is Cc1cc(NCC(O)C2CCCC2)c2cc(F)ccc2n1.
What is the InChIKey of 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol?
The InChIKey is BRNITCZSDZGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11-8-16(14-9-13(18)6-7-15(14)20-11)19-10-17(21)12-4-2-3-5-12/h6-9,12,17,21H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol?
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol has a molecular weight of 288.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 133394062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).