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

C24H23FN4O4 — CID 10456406

IUPAC[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H23FN4O4/c25-15-5-3-14(4-6-15)12-29-13-18-19(23(29)31)21(30)20-17(2-1-9-27-20)22(18)33-24(32)28-10-7-16(26)8-11-28/h1-6,9,16,30H,7-8,10-13,26H2
InChIKeyUPXYOJCFKOLBGP-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.16
Rot. Bonds3

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

[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate (PubChem CID 10456406) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate
PubChem CID10456406
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H23FN4O4/c25-15-5-3-14(4-6-15)12-29-13-18-19(23(29)31)21(30)20-17(2-1-9-27-20)22(18)33-24(32)28-10-7-16(26)8-11-28/h1-6,9,16,30H,7-8,10-13,26H2
InChIKeyUPXYOJCFKOLBGP-UHFFFAOYSA-N
XLogP3.16
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.16
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] 4-aminopiperidine-1-carboxylate?
The IUPAC name of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate (CID 10456406) is [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate.
What is the SMILES notation for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate?
The canonical SMILES for [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate is NC1CCN(C(=O)Oc2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1.
What is the InChIKey of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate?
The InChIKey is UPXYOJCFKOLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c25-15-5-3-14(4-6-15)12-29-13-18-19(23(29)31)21(30)20-17(2-1-9-27-20)22(18)33-24(32)28-10-7-16(26)8-11-28/h1-6,9,16,30H,7-8,10-13,26H2.
What are the key properties of [7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate?
[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] 4-aminopiperidine-1-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 3.16, 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] 4-aminopiperidine-1-carboxylate is sourced from PubChem (CID 10456406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).