[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate

C23H21FN4O4 — CID 10388298

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCNCC1
InChIInChI=1S/C23H21FN4O4/c24-15-5-3-14(4-6-15)12-28-13-17-18(22(28)30)20(29)19-16(2-1-7-26-19)21(17)32-23(31)27-10-8-25-9-11-27/h1-7,25,29H,8-13H2
InChIKeySKZCSTZDYPSHRX-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.64
Rot. Bonds3

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

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate (PubChem CID 10388298) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate
PubChem CID10388298
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCNCC1
InChIInChI=1S/C23H21FN4O4/c24-15-5-3-14(4-6-15)12-28-13-17-18(22(28)30)20(29)19-16(2-1-7-26-19)21(17)32-23(31)27-10-8-25-9-11-27/h1-7,25,29H,8-13H2
InChIKeySKZCSTZDYPSHRX-UHFFFAOYSA-N
XLogP2.64
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate (CID 10388298) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate is O=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCNCC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate?
The InChIKey is SKZCSTZDYPSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c24-15-5-3-14(4-6-15)12-28-13-17-18(22(28)30)20(29)19-16(2-1-7-26-19)21(17)32-23(31)27-10-8-25-9-11-27/h1-7,25,29H,8-13H2.
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate has a molecular weight of 436.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] piperazine-1-carboxylate is sourced from PubChem (CID 10388298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).