2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol

C15H18FNO2 — CID 166637385

IUPAC2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol
SMILESCCCOCC(C)(O)c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H18FNO2/c1-3-8-19-10-15(2,18)13-6-7-17-14-5-4-11(16)9-12(13)14/h4-7,9,18H,3,8,10H2,1-2H3
InChIKeyCKTGXAUDZBLJTP-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.01
Rot. Bonds5

About 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol

2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol (PubChem CID 166637385) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol.

Molecular Properties

Compound Name2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol
PubChem CID166637385
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol
SMILESCCCOCC(C)(O)c1ccnc2ccc(F)cc12
InChIInChI=1S/C15H18FNO2/c1-3-8-19-10-15(2,18)13-6-7-17-14-5-4-11(16)9-12(13)14/h4-7,9,18H,3,8,10H2,1-2H3
InChIKeyCKTGXAUDZBLJTP-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxymethylquinoline
CID 1514385
4-(Hydroxymethyl)quinoline
CID 80479
4-Hydroxy-4-quinolin-3-yl-cyclohexa-2,5-dienone
CID 482710
(Quinolin-3-yl)methanol
CID 12662983
3-Quinolinemethanol, alpha-methyl-
CID 12415752
Quinolin-8-ylmethanol
CID 594412
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one
CID 162672304
(Quinolin-5-yl)methanol
CID 823080
(8-Fluoroquinolin-3-yl)methanol
CID 15513770
1-Methyl-4-(3-phenyloxiran-2-yl)quinolin-1-ium
CID 45489160
N'-(4-fluorophenyl)-3-hydroxy-3-quinolin-4-ylpropanimidamide
CID 168299259
2,8-Bis(trifluoromethyl)-alpha-ethoxymethyl-4-quinolinemethanol
CID 18511418

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol?
The IUPAC name of 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol (CID 166637385) is 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol.
What is the SMILES notation for 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol?
The canonical SMILES for 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol is CCCOCC(C)(O)c1ccnc2ccc(F)cc12.
What is the InChIKey of 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol?
The InChIKey is CKTGXAUDZBLJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-8-19-10-15(2,18)13-6-7-17-14-5-4-11(16)9-12(13)14/h4-7,9,18H,3,8,10H2,1-2H3.
What are the key properties of 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol?
2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol has a molecular weight of 263.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol is sourced from PubChem (CID 166637385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).