7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

C25H19FN4O3 — CID 11744059

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESO=C(NCc1ccccn1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32)
InChIKeyOUVKQCAXDVOIIT-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.56
Rot. Bonds5

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 11744059) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID11744059
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESO=C(NCc1ccccn1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32)
InChIKeyOUVKQCAXDVOIIT-UHFFFAOYSA-N
XLogP3.56
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 11744059) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is O=C(NCc1ccccn1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is OUVKQCAXDVOIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32).
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 11744059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).