[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol

C15H16FNO2 — CID 155683148

IUPAC[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
SMILESOCC1CCC(c2ccnc3ccc(F)cc23)CO1
InChIInChI=1S/C15H16FNO2/c16-11-2-4-15-14(7-11)13(5-6-17-15)10-1-3-12(8-18)19-9-10/h2,4-7,10,12,18H,1,3,8-9H2
InChIKeyDTVSHSMPAGHSBB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.63
Rot. Bonds2

About [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol

[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol (PubChem CID 155683148) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
PubChem CID155683148
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol
SMILESOCC1CCC(c2ccnc3ccc(F)cc23)CO1
InChIInChI=1S/C15H16FNO2/c16-11-2-4-15-14(7-11)13(5-6-17-15)10-1-3-12(8-18)19-9-10/h2,4-7,10,12,18H,1,3,8-9H2
InChIKeyDTVSHSMPAGHSBB-UHFFFAOYSA-N
XLogP2.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
4-[4-(2-tert-butylcyclopropyl)cyclohexyl]-6-fluoroquinoline
CID 175384912
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439

Frequently Asked Questions

What is the IUPAC name of [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol?
The IUPAC name of [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol (CID 155683148) is [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol.
What is the SMILES notation for [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol?
The canonical SMILES for [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol is OCC1CCC(c2ccnc3ccc(F)cc23)CO1.
What is the InChIKey of [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol?
The InChIKey is DTVSHSMPAGHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-11-2-4-15-14(7-11)13(5-6-17-15)10-1-3-12(8-18)19-9-10/h2,4-7,10,12,18H,1,3,8-9H2.
What are the key properties of [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol?
[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol has a molecular weight of 261.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-fluoroquinolin-4-yl)oxan-2-yl]methanol is sourced from PubChem (CID 155683148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).