5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

C13H11FN2O — CID 176630766

IUPAC5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCc1cc(F)c2nc3c(c(C)c2c1)C(=O)NC3
InChIInChI=1S/C13H11FN2O/c1-6-3-8-7(2)11-10(5-15-13(11)17)16-12(8)9(14)4-6/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyXVWKJQPFYCPAFX-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.23
Rot. Bonds

About 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 176630766) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID176630766
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESCc1cc(F)c2nc3c(c(C)c2c1)C(=O)NC3
InChIInChI=1S/C13H11FN2O/c1-6-3-8-7(2)11-10(5-15-13(11)17)16-12(8)9(14)4-6/h3-4H,5H2,1-2H3,(H,15,17)
InChIKeyXVWKJQPFYCPAFX-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 176630766) is 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is Cc1cc(F)c2nc3c(c(C)c2c1)C(=O)NC3.
What is the InChIKey of 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is XVWKJQPFYCPAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-6-3-8-7(2)11-10(5-15-13(11)17)16-12(8)9(14)4-6/h3-4H,5H2,1-2H3,(H,15,17).
What are the key properties of 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 230.24 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7,9-dimethyl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 176630766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).