8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

C19H25FN2O2 — CID 155598450

IUPAC8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN([C@H]1CCC13CCCCC3)C2
InChIInChI=1S/C19H25FN2O2/c20-16-11-14(18(23)21-24)10-13-5-9-22(12-15(13)16)17-4-8-19(17)6-2-1-3-7-19/h10-11,17,24H,1-9,12H2,(H,21,23)/t17-/m0/s1
InChIKeyPUJMYKZANZBJSY-KRWDZBQOSA-N
MW332.42 g/mol
LogP3.42
Rot. Bonds2

About 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 155598450) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID155598450
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN([C@H]1CCC13CCCCC3)C2
InChIInChI=1S/C19H25FN2O2/c20-16-11-14(18(23)21-24)10-13-5-9-22(12-15(13)16)17-4-8-19(17)6-2-1-3-7-19/h10-11,17,24H,1-9,12H2,(H,21,23)/t17-/m0/s1
InChIKeyPUJMYKZANZBJSY-KRWDZBQOSA-N
XLogP3.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.42
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 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 155598450) is 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is O=C(NO)c1cc(F)c2c(c1)CCN([C@H]1CCC13CCCCC3)C2.
What is the InChIKey of 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is PUJMYKZANZBJSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-11-14(18(23)21-24)10-13-5-9-22(12-15(13)16)17-4-8-19(17)6-2-1-3-7-19/h10-11,17,24H,1-9,12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 155598450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).