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

C15H19NO3 — CID 79759445

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H19NO3/c1-10-14(5-7-19-10)15(18)16-6-4-11-2-3-13(17)8-12(11)9-16/h2-3,8,10,14,17H,4-7,9H2,1H3
InChIKeyYTSAHLUOXPPGQF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds1

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

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79759445) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID79759445
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H19NO3/c1-10-14(5-7-19-10)15(18)16-6-4-11-2-3-13(17)8-12(11)9-16/h2-3,8,10,14,17H,4-7,9H2,1H3
InChIKeyYTSAHLUOXPPGQF-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 54876371
2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997295
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
CID 107067794
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 79159479
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
2-(7-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120977420
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(3-amino-2-bicyclo[2.2.1]heptanyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119733362
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
2-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120975551
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone (CID 79759445) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCc2ccc(O)cc2C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is YTSAHLUOXPPGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-14(5-7-19-10)15(18)16-6-4-11-2-3-13(17)8-12(11)9-16/h2-3,8,10,14,17H,4-7,9H2,1H3.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).