(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol

C15H14FNO — CID 174644830

IUPAC(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol
SMILESC#Cc1cc(C)c(F)c2c(C)c(C)c(CO)nc12
InChIInChI=1S/C15H14FNO/c1-5-11-6-8(2)14(16)13-10(4)9(3)12(7-18)17-15(11)13/h1,6,18H,7H2,2-4H3
InChIKeyHXWBFRYNASUCGG-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.77
Rot. Bonds1

About (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol

(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol (PubChem CID 174644830) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol.

Molecular Properties

Compound Name(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol
PubChem CID174644830
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol
SMILESC#Cc1cc(C)c(F)c2c(C)c(C)c(CO)nc12
InChIInChI=1S/C15H14FNO/c1-5-11-6-8(2)14(16)13-10(4)9(3)12(7-18)17-15(11)13/h1,6,18H,7H2,2-4H3
InChIKeyHXWBFRYNASUCGG-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol?
The IUPAC name of (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol (CID 174644830) is (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol.
What is the SMILES notation for (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol?
The canonical SMILES for (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol is C#Cc1cc(C)c(F)c2c(C)c(C)c(CO)nc12.
What is the InChIKey of (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol?
The InChIKey is HXWBFRYNASUCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-5-11-6-8(2)14(16)13-10(4)9(3)12(7-18)17-15(11)13/h1,6,18H,7H2,2-4H3.
What are the key properties of (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol?
(8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol has a molecular weight of 243.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethynyl-5-fluoro-3,4,6-trimethylquinolin-2-yl)methanol is sourced from PubChem (CID 174644830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).