5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline

C12H14FNO — CID 139470942

IUPAC5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline
SMILESCOc1c(C)cnc2c1C(F)=CCC2C
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)10-11(7)14-6-8(2)12(10)15-3/h5-7H,4H2,1-3H3
InChIKeyQEDFZULIRXYIIN-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.22
Rot. Bonds1

About 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline

5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline (PubChem CID 139470942) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline
PubChem CID139470942
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline
SMILESCOc1c(C)cnc2c1C(F)=CCC2C
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)10-11(7)14-6-8(2)12(10)15-3/h5-7H,4H2,1-3H3
InChIKeyQEDFZULIRXYIIN-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline?
The IUPAC name of 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline (CID 139470942) is 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline.
What is the SMILES notation for 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline?
The canonical SMILES for 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline is COc1c(C)cnc2c1C(F)=CCC2C.
What is the InChIKey of 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline?
The InChIKey is QEDFZULIRXYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-4-5-9(13)10-11(7)14-6-8(2)12(10)15-3/h5-7H,4H2,1-3H3.
What are the key properties of 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline?
5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline has a molecular weight of 207.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-3,8-dimethyl-7,8-dihydroquinoline is sourced from PubChem (CID 139470942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).