8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline

C13H14FNO2 — CID 141434507

IUPAC8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
SMILESCOC[C@@H](C)Oc1ccc2cccnc2c1F
InChIInChI=1S/C13H14FNO2/c1-9(8-16-2)17-11-6-5-10-4-3-7-15-13(10)12(11)14/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyCHLLIDNKBLUPRL-SECBINFHSA-N
MW235.26 g/mol
LogP2.79
Rot. Bonds4

About 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline

8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline (PubChem CID 141434507) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline.

Molecular Properties

Compound Name8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
PubChem CID141434507
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
SMILESCOC[C@@H](C)Oc1ccc2cccnc2c1F
InChIInChI=1S/C13H14FNO2/c1-9(8-16-2)17-11-6-5-10-4-3-7-15-13(10)12(11)14/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyCHLLIDNKBLUPRL-SECBINFHSA-N
XLogP2.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
CID 62597332
bis(1,10-phenanthroline);ruthenium
CID 15001085
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
europium;formaldehyde;2-methoxypropane;1,10-phenanthroline
CID 143959644
chloroplatinum(1+);methoxyethane;1,10-phenanthroline
CID 11503730
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
(7-methoxyquinolin-8-yl)methanamine
CID 125427150
2-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112573083
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline?
The IUPAC name of 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline (CID 141434507) is 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline.
What is the SMILES notation for 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline?
The canonical SMILES for 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline is COC[C@@H](C)Oc1ccc2cccnc2c1F.
What is the InChIKey of 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline?
The InChIKey is CHLLIDNKBLUPRL-SECBINFHSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9(8-16-2)17-11-6-5-10-4-3-7-15-13(10)12(11)14/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline?
8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline has a molecular weight of 235.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline is sourced from PubChem (CID 141434507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).