3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol

C16H21FN2O — CID 133368901

IUPAC3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C16H21FN2O/c1-3-12(7-8-20)10-18-15-9-11(2)19-16-13(15)5-4-6-14(16)17/h4-6,9,12,20H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyHFUKQOJKCFFKPY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.50
Rot. Bonds6

About 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol

3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 133368901) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
PubChem CID133368901
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C16H21FN2O/c1-3-12(7-8-20)10-18-15-9-11(2)19-16-13(15)5-4-6-14(16)17/h4-6,9,12,20H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyHFUKQOJKCFFKPY-UHFFFAOYSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol (CID 133368901) is 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(C)nc2c(F)cccc12.
What is the InChIKey of 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is HFUKQOJKCFFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-12(7-8-20)10-18-15-9-11(2)19-16-13(15)5-4-6-14(16)17/h4-6,9,12,20H,3,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol?
3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 276.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 133368901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).