7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one

C18H14FN3O3 — CID 135410954

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one
SMILESCOc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H14FN3O3/c1-25-17-12-9-22(8-10-2-4-11(19)5-3-10)18(24)13(12)16(23)14-15(17)21-7-6-20-14/h2-7,23H,8-9H2,1H3
InChIKeyBAJWLNLSCCLHBD-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.64
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one (PubChem CID 135410954) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one
PubChem CID135410954
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one
SMILESCOc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C18H14FN3O3/c1-25-17-12-9-22(8-10-2-4-11(19)5-3-10)18(24)13(12)16(23)14-15(17)21-7-6-20-14/h2-7,23H,8-9H2,1H3
InChIKeyBAJWLNLSCCLHBD-UHFFFAOYSA-N
XLogP2.64
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one (CID 135410954) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one is COc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one?
The InChIKey is BAJWLNLSCCLHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-25-17-12-9-22(8-10-2-4-11(19)5-3-10)18(24)13(12)16(23)14-15(17)21-7-6-20-14/h2-7,23H,8-9H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one has a molecular weight of 339.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinoxalin-8-one is sourced from PubChem (CID 135410954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).