methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate

C19H11FN2O5 — CID 146592168

IUPACmethyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2cc(O)c(N3C(=O)c4ccccc4C3=O)nc2cc1F
InChIInChI=1S/C19H11FN2O5/c1-27-19(26)12-6-9-7-15(23)16(21-14(9)8-13(12)20)22-17(24)10-4-2-3-5-11(10)18(22)25/h2-8,23H,1H3
InChIKeyGQZIHMZBUJNJTE-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate

methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate (PubChem CID 146592168) has the molecular formula C19H11FN2O5 and a molecular weight of 366.30 g/mol. Its IUPAC name is methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate
PubChem CID146592168
Molecular FormulaC19H11FN2O5
Molecular Weight366.30 g/mol
Exact Mass366.07
IUPAC Namemethyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc2cc(O)c(N3C(=O)c4ccccc4C3=O)nc2cc1F
InChIInChI=1S/C19H11FN2O5/c1-27-19(26)12-6-9-7-15(23)16(21-14(9)8-13(12)20)22-17(24)10-4-2-3-5-11(10)18(22)25/h2-8,23H,1H3
InChIKeyGQZIHMZBUJNJTE-UHFFFAOYSA-N
XLogP2.67
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-[1-[1-(propoxymethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxylate
CID 149356165
methyl 3-(1,3-dioxoisoindol-2-yl)-5-fluoro-4-methylbenzoate
CID 168519228
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
methyl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate
CID 156858410
methyl 6-[(1S)-1-[2-(1,3-dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-3-fluoro-5-pyrazol-1-ylpyridine-2-carboxylate
CID 146591804
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 2-cyano-5-(1,3-dioxoisoindol-2-yl)benzoate
CID 168517112
methyl 4-(1,3-dioxoisoindol-2-yl)-5-iodo-2-methoxybenzoate
CID 168516193
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218107
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate?
The IUPAC name of methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate (CID 146592168) is methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate?
The canonical SMILES for methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate is COC(=O)c1cc2cc(O)c(N3C(=O)c4ccccc4C3=O)nc2cc1F.
What is the InChIKey of methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate?
The InChIKey is GQZIHMZBUJNJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O5/c1-27-19(26)12-6-9-7-15(23)16(21-14(9)8-13(12)20)22-17(24)10-4-2-3-5-11(10)18(22)25/h2-8,23H,1H3.
What are the key properties of methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate?
methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate has a molecular weight of 366.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dioxoisoindol-2-yl)-7-fluoro-3-hydroxyquinoline-6-carboxylate is sourced from PubChem (CID 146592168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).