[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate

C22H17FN4O5 — CID 10026018

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate
SMILESO=C1c2c(c(OC(=O)N3CCNC3=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O5/c23-13-5-3-12(4-6-13)10-26-11-15-16(20(26)29)18(28)17-14(2-1-7-24-17)19(15)32-22(31)27-9-8-25-21(27)30/h1-7,28H,8-11H2,(H,25,30)
InChIKeyASJWYGULWUXIES-UHFFFAOYSA-N
MW436.40 g/mol
LogP2.76
Rot. Bonds3

About [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate (PubChem CID 10026018) has the molecular formula C22H17FN4O5 and a molecular weight of 436.40 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate
PubChem CID10026018
Molecular FormulaC22H17FN4O5
Molecular Weight436.40 g/mol
Exact Mass436.12
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate
SMILESO=C1c2c(c(OC(=O)N3CCNC3=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O5/c23-13-5-3-12(4-6-13)10-26-11-15-16(20(26)29)18(28)17-14(2-1-7-24-17)19(15)32-22(31)27-9-8-25-21(27)30/h1-7,28H,8-11H2,(H,25,30)
InChIKeyASJWYGULWUXIES-UHFFFAOYSA-N
XLogP2.76
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 52.76
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] 2-oxoimidazolidine-1-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate (CID 10026018) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate is O=C1c2c(c(OC(=O)N3CCNC3=O)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate?
The InChIKey is ASJWYGULWUXIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O5/c23-13-5-3-12(4-6-13)10-26-11-15-16(20(26)29)18(28)17-14(2-1-7-24-17)19(15)32-22(31)27-9-8-25-21(27)30/h1-7,28H,8-11H2,(H,25,30).
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 2-oxoimidazolidine-1-carboxylate has a molecular weight of 436.40 g/mol, XLogP of 2.76, 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] 2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 10026018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).