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

C23H20FN3O5 — CID 10410804

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCOCC1
InChIInChI=1S/C23H20FN3O5/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(27)29)20(28)19-16(2-1-7-25-19)21(17)32-23(30)26-8-10-31-11-9-26/h1-7,28H,8-13H2
InChIKeyTZQVYPJILJXLGS-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.07
Rot. Bonds3

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

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate (PubChem CID 10410804) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate
PubChem CID10410804
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate
SMILESO=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCOCC1
InChIInChI=1S/C23H20FN3O5/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(27)29)20(28)19-16(2-1-7-25-19)21(17)32-23(30)26-8-10-31-11-9-26/h1-7,28H,8-13H2
InChIKeyTZQVYPJILJXLGS-UHFFFAOYSA-N
XLogP3.07
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
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] morpholine-4-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate (CID 10410804) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate is O=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCOCC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate?
The InChIKey is TZQVYPJILJXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(27)29)20(28)19-16(2-1-7-25-19)21(17)32-23(30)26-8-10-31-11-9-26/h1-7,28H,8-13H2.
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate has a molecular weight of 437.43 g/mol, XLogP of 3.07, 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-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] morpholine-4-carboxylate is sourced from PubChem (CID 10410804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).