methyl 3-fluoro-8-methoxycinnoline-6-carboxylate

C11H9FN2O3 — CID 156872839

IUPACmethyl 3-fluoro-8-methoxycinnoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nnc(F)cc2c1
InChIInChI=1S/C11H9FN2O3/c1-16-8-4-7(11(15)17-2)3-6-5-9(12)13-14-10(6)8/h3-5H,1-2H3
InChIKeyFVYLDPJWDKCECM-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.56
Rot. Bonds2

About methyl 3-fluoro-8-methoxycinnoline-6-carboxylate

methyl 3-fluoro-8-methoxycinnoline-6-carboxylate (PubChem CID 156872839) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is methyl 3-fluoro-8-methoxycinnoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-8-methoxycinnoline-6-carboxylate
PubChem CID156872839
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Namemethyl 3-fluoro-8-methoxycinnoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nnc(F)cc2c1
InChIInChI=1S/C11H9FN2O3/c1-16-8-4-7(11(15)17-2)3-6-5-9(12)13-14-10(6)8/h3-5H,1-2H3
InChIKeyFVYLDPJWDKCECM-UHFFFAOYSA-N
XLogP1.56
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
CID 156872967
lithium 8-methoxy-3-methylcinnoline-6-carboxylate
CID 168823639
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
CID 170992828
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 3-ethyl-7-methoxybenzimidazole-5-carboxylate
CID 66649571
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-8-methoxycinnoline-6-carboxylate?
The IUPAC name of methyl 3-fluoro-8-methoxycinnoline-6-carboxylate (CID 156872839) is methyl 3-fluoro-8-methoxycinnoline-6-carboxylate.
What is the SMILES notation for methyl 3-fluoro-8-methoxycinnoline-6-carboxylate?
The canonical SMILES for methyl 3-fluoro-8-methoxycinnoline-6-carboxylate is COC(=O)c1cc(OC)c2nnc(F)cc2c1.
What is the InChIKey of methyl 3-fluoro-8-methoxycinnoline-6-carboxylate?
The InChIKey is FVYLDPJWDKCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-16-8-4-7(11(15)17-2)3-6-5-9(12)13-14-10(6)8/h3-5H,1-2H3.
What are the key properties of methyl 3-fluoro-8-methoxycinnoline-6-carboxylate?
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate has a molecular weight of 236.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-8-methoxycinnoline-6-carboxylate is sourced from PubChem (CID 156872839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).