2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

C24H19FN4O3S — CID 42623558

IUPAC2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nccs2)C1=O
InChIInChI=1S/C24H19FN4O3S/c1-29-12-18-16(10-19(30)28-24-26-6-7-33-24)17-9-14(8-13-2-4-15(25)5-3-13)11-27-21(17)22(31)20(18)23(29)32/h2-7,9,11,31H,8,10,12H2,1H3,(H,26,28,30)
InChIKeyGSYFJXWAAVWHLZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.89
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 42623558) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID42623558
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nccs2)C1=O
InChIInChI=1S/C24H19FN4O3S/c1-29-12-18-16(10-19(30)28-24-26-6-7-33-24)17-9-14(8-13-2-4-15(25)5-3-13)11-27-21(17)22(31)20(18)23(29)32/h2-7,9,11,31H,8,10,12H2,1H3,(H,26,28,30)
InChIKeyGSYFJXWAAVWHLZ-UHFFFAOYSA-N
XLogP3.89
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 42623558) is 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2CC(=O)Nc2nccs2)C1=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GSYFJXWAAVWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c1-29-12-18-16(10-19(30)28-24-26-6-7-33-24)17-9-14(8-13-2-4-15(25)5-3-13)11-27-21(17)22(31)20(18)23(29)32/h2-7,9,11,31H,8,10,12H2,1H3,(H,26,28,30).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42623558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).