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

C19H15FN2O2 — CID 69241629

IUPAC9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(F)c3c(nc12)CNC3=O
InChIInChI=1S/C19H15FN2O2/c1-10-6-7-15(24-2)13(8-10)11-4-3-5-12-17(20)16-14(22-18(11)12)9-21-19(16)23/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeySYFOCMWEKOWZPU-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.60
Rot. Bonds2

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

9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 69241629) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID69241629
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCOc1ccc(C)cc1-c1cccc2c(F)c3c(nc12)CNC3=O
InChIInChI=1S/C19H15FN2O2/c1-10-6-7-15(24-2)13(8-10)11-4-3-5-12-17(20)16-14(22-18(11)12)9-21-19(16)23/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeySYFOCMWEKOWZPU-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.60
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-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 69241629) is 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is COc1ccc(C)cc1-c1cccc2c(F)c3c(nc12)CNC3=O.
What is the InChIKey of 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is SYFOCMWEKOWZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-10-6-7-15(24-2)13(8-10)11-4-3-5-12-17(20)16-14(22-18(11)12)9-21-19(16)23/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of 9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 322.34 g/mol, XLogP of 3.60, 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-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69241629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).