methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate

C11H11ClFNO2 — CID 131526064

IUPACmethyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H11ClFNO2/c1-16-11(15)7-2-3-14-10-8(7)4-6(13)5-9(10)12/h4-5,7,14H,2-3H2,1H3
InChIKeyMTJVTOGLSILVJR-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.55
Rot. Bonds1

About methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate

methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 131526064) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID131526064
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Namemethyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOC(=O)C1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H11ClFNO2/c1-16-11(15)7-2-3-14-10-8(7)4-6(13)5-9(10)12/h4-5,7,14H,2-3H2,1H3
InChIKeyMTJVTOGLSILVJR-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 131526064) is methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate is COC(=O)C1CCNc2c(Cl)cc(F)cc21.
What is the InChIKey of methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is MTJVTOGLSILVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c1-16-11(15)7-2-3-14-10-8(7)4-6(13)5-9(10)12/h4-5,7,14H,2-3H2,1H3.
What are the key properties of methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate?
methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 243.66 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 131526064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).