9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

C18H13FN2O2 — CID 69240176

IUPAC9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(F)c1-c1c2c(nc3ccccc13)CNC2=O
InChIInChI=1S/C18H13FN2O2/c1-23-14-8-4-6-11(19)16(14)15-10-5-2-3-7-12(10)21-13-9-20-18(22)17(13)15/h2-8H,9H2,1H3,(H,20,22)
InChIKeyQXSRVCXWUXAKAK-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.29
Rot. Bonds2

About 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 69240176) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID69240176
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(F)c1-c1c2c(nc3ccccc13)CNC2=O
InChIInChI=1S/C18H13FN2O2/c1-23-14-8-4-6-11(19)16(14)15-10-5-2-3-7-12(10)21-13-9-20-18(22)17(13)15/h2-8H,9H2,1H3,(H,20,22)
InChIKeyQXSRVCXWUXAKAK-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 69240176) is 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is COc1cccc(F)c1-c1c2c(nc3ccccc13)CNC2=O.
What is the InChIKey of 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is QXSRVCXWUXAKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c1-23-14-8-4-6-11(19)16(14)15-10-5-2-3-7-12(10)21-13-9-20-18(22)17(13)15/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 308.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoro-6-methoxyphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69240176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).