2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol

C17H21FN2O2 — CID 133394132

IUPAC2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCc1cc(NCC(O)C2CCOCC2)c2cccc(F)c2n1
InChIInChI=1S/C17H21FN2O2/c1-11-9-15(13-3-2-4-14(18)17(13)20-11)19-10-16(21)12-5-7-22-8-6-12/h2-4,9,12,16,21H,5-8,10H2,1H3,(H,19,20)
InChIKeyHLRMVWPFCNYAEX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.88
Rot. Bonds4

About 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol

2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol (PubChem CID 133394132) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
PubChem CID133394132
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCc1cc(NCC(O)C2CCOCC2)c2cccc(F)c2n1
InChIInChI=1S/C17H21FN2O2/c1-11-9-15(13-3-2-4-14(18)17(13)20-11)19-10-16(21)12-5-7-22-8-6-12/h2-4,9,12,16,21H,5-8,10H2,1H3,(H,19,20)
InChIKeyHLRMVWPFCNYAEX-UHFFFAOYSA-N
XLogP2.88
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol (CID 133394132) is 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol is Cc1cc(NCC(O)C2CCOCC2)c2cccc(F)c2n1.
What is the InChIKey of 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The InChIKey is HLRMVWPFCNYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-9-15(13-3-2-4-14(18)17(13)20-11)19-10-16(21)12-5-7-22-8-6-12/h2-4,9,12,16,21H,5-8,10H2,1H3,(H,19,20).
What are the key properties of 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol has a molecular weight of 304.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 133394132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).