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

C23H18FN3O5 — CID 10071635

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O)N1CCCC1
InChIInChI=1S/C23H18FN3O5/c24-14-7-5-13(6-8-14)12-27-21(29)16-17(22(27)30)20(32-23(31)26-10-1-2-11-26)15-4-3-9-25-18(15)19(16)28/h3-9,28H,1-2,10-12H2
InChIKeyYKBQIAQWLSAIAH-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.47
Rot. Bonds3

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

[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate (PubChem CID 10071635) has the molecular formula C23H18FN3O5 and a molecular weight of 435.41 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate
PubChem CID10071635
Molecular FormulaC23H18FN3O5
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O)N1CCCC1
InChIInChI=1S/C23H18FN3O5/c24-14-7-5-13(6-8-14)12-27-21(29)16-17(22(27)30)20(32-23(31)26-10-1-2-11-26)15-4-3-9-25-18(15)19(16)28/h3-9,28H,1-2,10-12H2
InChIKeyYKBQIAQWLSAIAH-UHFFFAOYSA-N
XLogP3.47
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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] pyrrolidine-1-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate (CID 10071635) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate is O=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O)N1CCCC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate?
The InChIKey is YKBQIAQWLSAIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5/c24-14-7-5-13(6-8-14)12-27-21(29)16-17(22(27)30)20(32-23(31)26-10-1-2-11-26)15-4-3-9-25-18(15)19(16)28/h3-9,28H,1-2,10-12H2.
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-6,8-dioxopyrrolo[3,4-g]quinolin-5-yl] pyrrolidine-1-carboxylate has a molecular weight of 435.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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] pyrrolidine-1-carboxylate is sourced from PubChem (CID 10071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).