methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate

C11H10FNO2 — CID 72698497

IUPACmethyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate
SMILESCOC(=O)C1=C2C(F)=CC=CC2NC=C1
InChIInChI=1S/C11H10FNO2/c1-15-11(14)7-5-6-13-9-4-2-3-8(12)10(7)9/h2-6,9,13H,1H3
InChIKeyJDLQGCNSOXMUGE-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.36
Rot. Bonds1

About methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate

methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate (PubChem CID 72698497) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate
PubChem CID72698497
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Namemethyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate
SMILESCOC(=O)C1=C2C(F)=CC=CC2NC=C1
InChIInChI=1S/C11H10FNO2/c1-15-11(14)7-5-6-13-9-4-2-3-8(12)10(7)9/h2-6,9,13H,1H3
InChIKeyJDLQGCNSOXMUGE-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate?
The IUPAC name of methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate (CID 72698497) is methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate is COC(=O)C1=C2C(F)=CC=CC2NC=C1.
What is the InChIKey of methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate?
The InChIKey is JDLQGCNSOXMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-15-11(14)7-5-6-13-9-4-2-3-8(12)10(7)9/h2-6,9,13H,1H3.
What are the key properties of methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate?
methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate has a molecular weight of 207.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1,8a-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 72698497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).