[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate

C24H21FN4O5 — CID 10095965

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3=O)CC1
InChIInChI=1S/C24H21FN4O5/c1-27-9-11-28(12-10-27)24(33)34-21-16-3-2-8-26-19(16)20(30)17-18(21)23(32)29(22(17)31)13-14-4-6-15(25)7-5-14/h2-8,30H,9-13H2,1H3
InChIKeyGRDFDZTUEDVKIJ-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.62
Rot. Bonds3

About [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate

[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate (PubChem CID 10095965) has the molecular formula C24H21FN4O5 and a molecular weight of 464.45 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate
PubChem CID10095965
Molecular FormulaC24H21FN4O5
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3=O)CC1
InChIInChI=1S/C24H21FN4O5/c1-27-9-11-28(12-10-27)24(33)34-21-16-3-2-8-26-19(16)20(30)17-18(21)23(32)29(22(17)31)13-14-4-6-15(25)7-5-14/h2-8,30H,9-13H2,1H3
InChIKeyGRDFDZTUEDVKIJ-UHFFFAOYSA-N
XLogP2.62
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate (CID 10095965) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3=O)CC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate?
The InChIKey is GRDFDZTUEDVKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O5/c1-27-9-11-28(12-10-27)24(33)34-21-16-3-2-8-26-19(16)20(30)17-18(21)23(32)29(22(17)31)13-14-4-6-15(25)7-5-14/h2-8,30H,9-13H2,1H3.
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate has a molecular weight of 464.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 10095965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).