6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline

C16H18FNO — CID 160951324

IUPAC6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline
SMILESCO[C@@H]1CCCC[C@H]1c1ccnc2ccc(F)cc12
InChIInChI=1S/C16H18FNO/c1-19-16-5-3-2-4-13(16)12-8-9-18-15-7-6-11(17)10-14(12)15/h6-10,13,16H,2-5H2,1H3/t13-,16+/m0/s1
InChIKeyIWDNKKZFCCBVQE-XJKSGUPXSA-N
MW259.32 g/mol
LogP4.05
Rot. Bonds2

About 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline

6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline (PubChem CID 160951324) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline
PubChem CID160951324
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline
SMILESCO[C@@H]1CCCC[C@H]1c1ccnc2ccc(F)cc12
InChIInChI=1S/C16H18FNO/c1-19-16-5-3-2-4-13(16)12-8-9-18-15-7-6-11(17)10-14(12)15/h6-10,13,16H,2-5H2,1H3/t13-,16+/m0/s1
InChIKeyIWDNKKZFCCBVQE-XJKSGUPXSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline?
The IUPAC name of 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline (CID 160951324) is 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline.
What is the SMILES notation for 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline?
The canonical SMILES for 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline is CO[C@@H]1CCCC[C@H]1c1ccnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline?
The InChIKey is IWDNKKZFCCBVQE-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H18FNO/c1-19-16-5-3-2-4-13(16)12-8-9-18-15-7-6-11(17)10-14(12)15/h6-10,13,16H,2-5H2,1H3/t13-,16+/m0/s1.
What are the key properties of 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline?
6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline has a molecular weight of 259.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(1S,2R)-2-methoxycyclohexyl]quinoline is sourced from PubChem (CID 160951324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).