(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one

C17H20N2O2 — CID 1439849

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
SMILESC[C@@H](NCc1ccco1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2/c1-13(18-11-16-7-4-10-21-16)17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13,18H,8-9,11-12H2,1H3/t13-/m1/s1
InChIKeyJBVQYYFCWYBPEE-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one (PubChem CID 1439849) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
PubChem CID1439849
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
SMILESC[C@@H](NCc1ccco1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O2/c1-13(18-11-16-7-4-10-21-16)17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13,18H,8-9,11-12H2,1H3/t13-/m1/s1
InChIKeyJBVQYYFCWYBPEE-CYBMUJFWSA-N
XLogP2.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 35684027
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109085025
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791657
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
CID 46383463
3-[[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110946606
(2S)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 51968185
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
CID 95757642

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one (CID 1439849) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one is C[C@@H](NCc1ccco1)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one?
The InChIKey is JBVQYYFCWYBPEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(18-11-16-7-4-10-21-16)17(20)19-9-8-14-5-2-3-6-15(14)12-19/h2-7,10,13,18H,8-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 1439849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).