(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol

C13H14FNO — CID 125453119

IUPAC(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol
SMILESCCc1c(CO)c(C)nc2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3
InChIKeyQVNOQOPJZZQKHA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.74
Rot. Bonds2

About (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol

(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol (PubChem CID 125453119) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol
PubChem CID125453119
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol
SMILESCCc1c(CO)c(C)nc2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3
InChIKeyQVNOQOPJZZQKHA-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol?
The IUPAC name of (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol (CID 125453119) is (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol.
What is the SMILES notation for (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol?
The canonical SMILES for (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol is CCc1c(CO)c(C)nc2ccc(F)cc12.
What is the InChIKey of (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol?
The InChIKey is QVNOQOPJZZQKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-10-11-6-9(14)4-5-13(11)15-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3.
What are the key properties of (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol?
(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol has a molecular weight of 219.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol is sourced from PubChem (CID 125453119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).