7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one

C20H17FN2O3 — CID 24860406

IUPAC7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(OC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H17FN2O3/c1-25-18-14-4-3-9-22-17(14)19(26-2)16-15(18)11-23(20(16)24)10-12-5-7-13(21)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyJDJJGLJZXRPAAL-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.55
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 24860406) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID24860406
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(OC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H17FN2O3/c1-25-18-14-4-3-9-22-17(14)19(26-2)16-15(18)11-23(20(16)24)10-12-5-7-13(21)8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyJDJJGLJZXRPAAL-UHFFFAOYSA-N
XLogP3.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 24860406) is 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(OC)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is JDJJGLJZXRPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-25-18-14-4-3-9-22-17(14)19(26-2)16-15(18)11-23(20(16)24)10-12-5-7-13(21)8-6-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 352.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 24860406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).