N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide

C17H20N2O2 — CID 39614119

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1ccco1
InChIInChI=1S/C17H20N2O2/c20-17(16-7-3-12-21-16)18-9-4-10-19-11-8-14-5-1-2-6-15(14)13-19/h1-3,5-7,12H,4,8-11,13H2,(H,18,20)
InChIKeyBISQHAACYDZIQN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds5

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide (PubChem CID 39614119) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
PubChem CID39614119
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1ccco1
InChIInChI=1S/C17H20N2O2/c20-17(16-7-3-12-21-16)18-9-4-10-19-11-8-14-5-1-2-6-15(14)13-19/h1-3,5-7,12H,4,8-11,13H2,(H,18,20)
InChIKeyBISQHAACYDZIQN-UHFFFAOYSA-N
XLogP2.46
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 38552373
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42751474
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 55611520
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 110442787
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide (CID 39614119) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide is O=C(NCCCN1CCc2ccccc2C1)c1ccco1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide?
The InChIKey is BISQHAACYDZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(16-7-3-12-21-16)18-9-4-10-19-11-8-14-5-1-2-6-15(14)13-19/h1-3,5-7,12H,4,8-11,13H2,(H,18,20).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 39614119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).