10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide

C13H11FN2O2 — CID 155598423

IUPAC10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCn1cccc1-2
InChIInChI=1S/C13H11FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h1-2,4,6-7,18H,3,5H2,(H,15,17)
InChIKeyRBFIROPBYMAWDV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds1

About 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide

10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide (PubChem CID 155598423) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
PubChem CID155598423
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCn1cccc1-2
InChIInChI=1S/C13H11FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h1-2,4,6-7,18H,3,5H2,(H,15,17)
InChIKeyRBFIROPBYMAWDV-UHFFFAOYSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The IUPAC name of 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide (CID 155598423) is 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide.
What is the SMILES notation for 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The canonical SMILES for 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide is O=C(NO)c1cc(F)c2c(c1)CCn1cccc1-2.
What is the InChIKey of 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The InChIKey is RBFIROPBYMAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h1-2,4,6-7,18H,3,5H2,(H,15,17).
What are the key properties of 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide is sourced from PubChem (CID 155598423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).