5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide

C18H18BrN3O2 — CID 1048509

IUPAC5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide
SMILESO=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C18H18BrN3O2/c19-15-8-7-14(24-15)17(23)22-21-16-13-6-2-1-5-12(13)11-18(20-16)9-3-4-10-18/h1-2,5-8H,3-4,9-11H2,(H,20,21)(H,22,23)
InChIKeyHZBPXHNJTRUDCH-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.59
Rot. Bonds1

About 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide

5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide (PubChem CID 1048509) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide
PubChem CID1048509
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide
SMILESO=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccc(Br)o1
InChIInChI=1S/C18H18BrN3O2/c19-15-8-7-14(24-15)17(23)22-21-16-13-6-2-1-5-12(13)11-18(20-16)9-3-4-10-18/h1-2,5-8H,3-4,9-11H2,(H,20,21)(H,22,23)
InChIKeyHZBPXHNJTRUDCH-UHFFFAOYSA-N
XLogP3.59
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide
CID 824163
5-bromo-N'-(3,4-dihydronaphthalen-1-yl)furan-2-carbohydrazide
CID 2170922
N-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
CID 1238956
5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide
CID 51273024
N-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-1,3-thiazol-3-ium-2-amine
CID 6955401
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
CID 3100283
2-hydroxyimino-2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylacetamide
CID 135456520
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide (CID 1048509) is 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide is O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide?
The InChIKey is HZBPXHNJTRUDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-8-7-14(24-15)17(23)22-21-16-13-6-2-1-5-12(13)11-18(20-16)9-3-4-10-18/h1-2,5-8H,3-4,9-11H2,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide?
5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide has a molecular weight of 388.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylfuran-2-carbohydrazide is sourced from PubChem (CID 1048509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).