9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

C18H12F2N2O2 — CID 69239470

IUPAC9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(-c2cccc3c(F)c4c(nc23)CNC4=O)c1F
InChIInChI=1S/C18H12F2N2O2/c1-24-13-7-3-4-9(15(13)19)10-5-2-6-11-16(20)14-12(22-17(10)11)8-21-18(14)23/h2-7H,8H2,1H3,(H,21,23)
InChIKeyJEHXZXQVLIYIOE-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.43
Rot. Bonds2

About 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 69239470) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID69239470
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(-c2cccc3c(F)c4c(nc23)CNC4=O)c1F
InChIInChI=1S/C18H12F2N2O2/c1-24-13-7-3-4-9(15(13)19)10-5-2-6-11-16(20)14-12(22-17(10)11)8-21-18(14)23/h2-7H,8H2,1H3,(H,21,23)
InChIKeyJEHXZXQVLIYIOE-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 69239470) is 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is COc1cccc(-c2cccc3c(F)c4c(nc23)CNC4=O)c1F.
What is the InChIKey of 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is JEHXZXQVLIYIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c1-24-13-7-3-4-9(15(13)19)10-5-2-6-11-16(20)14-12(22-17(10)11)8-21-18(14)23/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 326.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-(2-fluoro-3-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69239470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).