7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one

C21H19FN2O2 — CID 58928939

IUPAC7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O
InChIInChI=1S/C21H19FN2O2/c1-12-16-5-4-10-23-19(16)13(2)17-18(12)21(3,26)24(20(17)25)11-14-6-8-15(22)9-7-14/h4-10,26H,11H2,1-3H3
InChIKeyKVMLHDKHROWRSY-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.81
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one (PubChem CID 58928939) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one
PubChem CID58928939
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O
InChIInChI=1S/C21H19FN2O2/c1-12-16-5-4-10-23-19(16)13(2)17-18(12)21(3,26)24(20(17)25)11-14-6-8-15(22)9-7-14/h4-10,26H,11H2,1-3H3
InChIKeyKVMLHDKHROWRSY-UHFFFAOYSA-N
XLogP3.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one (CID 58928939) is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one is Cc1c2c(c(C)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(C)O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one?
The InChIKey is KVMLHDKHROWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-12-16-5-4-10-23-19(16)13(2)17-18(12)21(3,26)24(20(17)25)11-14-6-8-15(22)9-7-14/h4-10,26H,11H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one has a molecular weight of 350.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,6,9-trimethylpyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58928939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).