N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

C24H22FN3O3 — CID 10387347

IUPACN-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESO=C(NC1CCCC1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H22FN3O3/c25-15-9-7-14(8-10-15)12-28-13-18-19(23(30)27-16-4-1-2-5-16)17-6-3-11-26-21(17)22(29)20(18)24(28)31/h3,6-11,16,29H,1-2,4-5,12-13H2,(H,27,30)
InChIKeyXHEMBSFLENQMAN-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 10387347) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID10387347
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESO=C(NC1CCCC1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H22FN3O3/c25-15-9-7-14(8-10-15)12-28-13-18-19(23(30)27-16-4-1-2-5-16)17-6-3-11-26-21(17)22(29)20(18)24(28)31/h3,6-11,16,29H,1-2,4-5,12-13H2,(H,27,30)
InChIKeyXHEMBSFLENQMAN-UHFFFAOYSA-N
XLogP3.91
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 10387347) is N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is O=C(NC1CCCC1)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is XHEMBSFLENQMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-15-9-7-14(8-10-15)12-28-13-18-19(23(30)27-16-4-1-2-5-16)17-6-3-11-26-21(17)22(29)20(18)24(28)31/h3,6-11,16,29H,1-2,4-5,12-13H2,(H,27,30).
What are the key properties of N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 10387347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).