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

C19H15FN2O2 — CID 10381439

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H15FN2O2/c1-11-14-3-2-8-21-17(14)18(23)16-15(11)10-22(19(16)24)9-12-4-6-13(20)7-5-12/h2-8,23H,9-10H2,1H3
InChIKeyPDIOOHWQWLMFSB-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.54
Rot. Bonds2

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10381439) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10381439
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C19H15FN2O2/c1-11-14-3-2-8-21-17(14)18(23)16-15(11)10-22(19(16)24)9-12-4-6-13(20)7-5-12/h2-8,23H,9-10H2,1H3
InChIKeyPDIOOHWQWLMFSB-UHFFFAOYSA-N
XLogP3.54
TPSA53.43 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10381439) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is Cc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is PDIOOHWQWLMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-11-14-3-2-8-21-17(14)18(23)16-15(11)10-22(19(16)24)9-12-4-6-13(20)7-5-12/h2-8,23H,9-10H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 322.34 g/mol, XLogP of 3.54, 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]-9-hydroxy-5-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10381439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).