3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline

C16H16FN — CID 127051652

IUPAC3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline
SMILESCc1nc2ccc(F)cc2cc1C1=CCCCC1
InChIInChI=1S/C16H16FN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3
InChIKeyXTZFWKGFNGEXBX-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.64
Rot. Bonds1

About 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline

3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline (PubChem CID 127051652) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline
PubChem CID127051652
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline
SMILESCc1nc2ccc(F)cc2cc1C1=CCCCC1
InChIInChI=1S/C16H16FN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3
InChIKeyXTZFWKGFNGEXBX-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline?
The IUPAC name of 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline (CID 127051652) is 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline.
What is the SMILES notation for 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline?
The canonical SMILES for 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline is Cc1nc2ccc(F)cc2cc1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline?
The InChIKey is XTZFWKGFNGEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline?
3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline has a molecular weight of 241.31 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-6-fluoro-2-methylquinoline is sourced from PubChem (CID 127051652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).