8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen

C18H30FN3O2 — CID 164868845

IUPAC8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen
SMILESCNCCCC1CC(N2CCc3cc(C(=O)NO)cc(F)c3C2)C1.[H][H].[H][H]
InChIInChI=1S/C18H26FN3O2.2H2/c1-20-5-2-3-12-7-15(8-12)22-6-4-13-9-14(18(23)21-24)10-17(19)16(13)11-22;;/h9-10,12,15,20,24H,2-8,11H2,1H3,(H,21,23);2*1H
InChIKeyXMVLESOMWXKIBN-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.57
Rot. Bonds6

About 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen

8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen (PubChem CID 164868845) has the molecular formula C18H30FN3O2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen
PubChem CID164868845
Molecular FormulaC18H30FN3O2
Molecular Weight339.45 g/mol
Exact Mass339.23
IUPAC Name8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen
SMILESCNCCCC1CC(N2CCc3cc(C(=O)NO)cc(F)c3C2)C1.[H][H].[H][H]
InChIInChI=1S/C18H26FN3O2.2H2/c1-20-5-2-3-12-7-15(8-12)22-6-4-13-9-14(18(23)21-24)10-17(19)16(13)11-22;;/h9-10,12,15,20,24H,2-8,11H2,1H3,(H,21,23);2*1H
InChIKeyXMVLESOMWXKIBN-UHFFFAOYSA-N
XLogP2.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen with MolForge

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Related Compounds

8-fluoro-N-hydroxy-2-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868132
2-(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868826
7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
CID 169125895
8-fluoro-N-hydroxy-2-[(8S)-spiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171594598
2-(5-azaspiro[3.4]octan-2-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868427
8-fluoro-N-hydroxy-2-[(6S)-2-oxaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867950
2-[(8S)-5-azaspiro[3.5]nonan-8-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868497
2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867980
8-fluoro-N-hydroxy-2-[(3R,4R)-5-methyl-5-azaspiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868176
8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598450
8-fluoro-N-hydroxy-2-[(3R)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598530
8-fluoro-N-hydroxy-2-[(8R)-5-oxa-2-azaspiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868568

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen?
The IUPAC name of 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen (CID 164868845) is 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen.
What is the SMILES notation for 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen?
The canonical SMILES for 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen is CNCCCC1CC(N2CCc3cc(C(=O)NO)cc(F)c3C2)C1.[H][H].[H][H].
What is the InChIKey of 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen?
The InChIKey is XMVLESOMWXKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2.2H2/c1-20-5-2-3-12-7-15(8-12)22-6-4-13-9-14(18(23)21-24)10-17(19)16(13)11-22;;/h9-10,12,15,20,24H,2-8,11H2,1H3,(H,21,23);2*1H.
What are the key properties of 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen?
8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen has a molecular weight of 339.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 164868845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).