5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

C15H20FN3O3 — CID 164867777

IUPAC5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CN(CC1CNCCO1)CC2
InChIInChI=1S/C15H20FN3O3/c16-14-6-10(15(20)18-21)5-11-8-19(3-1-13(11)14)9-12-7-17-2-4-22-12/h5-6,12,17,21H,1-4,7-9H2,(H,18,20)
InChIKeyJNSCCBKDOCCHQX-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.29
Rot. Bonds3

About 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 164867777) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID164867777
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CN(CC1CNCCO1)CC2
InChIInChI=1S/C15H20FN3O3/c16-14-6-10(15(20)18-21)5-11-8-19(3-1-13(11)14)9-12-7-17-2-4-22-12/h5-6,12,17,21H,1-4,7-9H2,(H,18,20)
InChIKeyJNSCCBKDOCCHQX-UHFFFAOYSA-N
XLogP0.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

N-hydroxy-6-(morpholin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125361
2-[(1,2-dimethylpyrrolidin-2-yl)methyl]-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide;ethane
CID 164867967
8-fluoro-N-hydroxy-2-[(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868272
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
8-fluoro-N-hydroxy-2-[(8R)-5-oxa-2-azaspiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868568
2-(2-ethyl-4-methylpentyl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868140
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
8-fluoro-N-hydroxy-2-[(1-methyl-5-tricyclo[5.2.1.03,9]dec-8-enyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868023
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-(5-azaspiro[3.4]octan-2-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868427
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 164867777) is 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is O=C(NO)c1cc(F)c2c(c1)CN(CC1CNCCO1)CC2.
What is the InChIKey of 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is JNSCCBKDOCCHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c16-14-6-10(15(20)18-21)5-11-8-19(3-1-13(11)14)9-12-7-17-2-4-22-12/h5-6,12,17,21H,1-4,7-9H2,(H,18,20).
What are the key properties of 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hydroxy-2-(morpholin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 164867777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).