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

C20H15FN2O3 — CID 135410956

IUPAC7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one
SMILESC=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC
InChIInChI=1S/C20H15FN2O3/c1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12/h3-9,25H,1,10H2,2H3
InChIKeyRFLMXWWMNXTBDG-UHFFFAOYSA-N
MW350.35 g/mol
LogP1.53
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one (PubChem CID 135410956) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one
PubChem CID135410956
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one
SMILESC=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC
InChIInChI=1S/C20H15FN2O3/c1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12/h3-9,25H,1,10H2,2H3
InChIKeyRFLMXWWMNXTBDG-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one (CID 135410956) is 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one is C=c1c2c(c(O)n1Cc1ccc(F)cc1)C(=O)c1ncccc1C=2OC.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one?
The InChIKey is RFLMXWWMNXTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-11-15-16(18(24)17-14(19(15)26-2)4-3-9-22-17)20(25)23(11)10-12-5-7-13(21)8-6-12/h3-9,25H,1,10H2,2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one?
7-[(4-fluorophenyl)methyl]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one has a molecular weight of 350.35 g/mol, XLogP of 1.53, 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]-8-hydroxy-5-methoxy-6-methylidenepyrrolo[3,4-g]quinolin-9-one is sourced from PubChem (CID 135410956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).