5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

C23H18FN3O3 — CID 10386445

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1noc(C)c1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H18FN3O3/c1-12-18(13(2)30-26-12)19-16-4-3-9-25-21(16)22(28)20-17(19)11-27(23(20)29)10-14-5-7-15(24)8-6-14/h3-9,28H,10-11H2,1-2H3
InChIKeyOYSOYBNHLXVAIC-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.51
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10386445) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10386445
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1noc(C)c1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C23H18FN3O3/c1-12-18(13(2)30-26-12)19-16-4-3-9-25-21(16)22(28)20-17(19)11-27(23(20)29)10-14-5-7-15(24)8-6-14/h3-9,28H,10-11H2,1-2H3
InChIKeyOYSOYBNHLXVAIC-UHFFFAOYSA-N
XLogP4.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10386445) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is Cc1noc(C)c1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is OYSOYBNHLXVAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-12-18(13(2)30-26-12)19-16-4-3-9-25-21(16)22(28)20-17(19)11-27(23(20)29)10-14-5-7-15(24)8-6-14/h3-9,28H,10-11H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 403.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10386445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).