cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H19NO2 — CID 47180816

IUPACcyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H19NO2/c17-14-6-5-11-7-8-16(10-13(11)9-14)15(18)12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyVOXMZYSIVFSDEV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds1

About cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 47180816) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID47180816
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(C1CCCC1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H19NO2/c17-14-6-5-11-7-8-16(10-13(11)9-14)15(18)12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyVOXMZYSIVFSDEV-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone 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

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294055
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
CID 107067794
cyclopentyl-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644472
2-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 54876371
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
CID 79759445
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 79159479
(3-amino-2-bicyclo[2.2.1]heptanyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119733362
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 47180816) is cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(C1CCCC1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is VOXMZYSIVFSDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-6-5-11-7-8-16(10-13(11)9-14)15(18)12-3-1-2-4-12/h5-6,9,12,17H,1-4,7-8,10H2.
What are the key properties of cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 47180816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).