4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one

C10H11NO2 — CID 134611902

IUPAC4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1ccc2c(c1)C(=O)NCC2O
InChIInChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)
InChIKeySHRDETJLBTYTFD-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.77
Rot. Bonds

About 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one

4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 134611902) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID134611902
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1ccc2c(c1)C(=O)NCC2O
InChIInChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13)
InChIKeySHRDETJLBTYTFD-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
7-[4-[(R)-hydroxy-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3-methylphenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 130408860
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
1,2,3,4-Tetrahydro-Isoquinoline-7-Carboxylic Acid
CID 4178308
Ethyl 4-[[5-(cyclopentylcarbamoyl)-2-(hydroxymethyl)benzoyl]amino]piperidine-1-carboxylate
CID 5307187
2,6-difluoro-N-[2-hydroxy-2-(2-naphthyl)ethyl]benzenecarboxamide
CID 3544778
1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid
CID 21888155
1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid hydrochloride
CID 121234990
1,2,3,4-Tetrahydroisoquinoline-7-carboxylic acid hydrochloride
CID 53420299
4-hydroxy-3,4-dihydroisoquinolin-1(2H)-one
CID 12523026
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(hydroxymethyl)benzamide
CID 117685837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 134611902) is 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one is Cc1ccc2c(c1)C(=O)NCC2O.
What is the InChIKey of 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is SHRDETJLBTYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-3-7-8(4-6)10(13)11-5-9(7)12/h2-4,9,12H,5H2,1H3,(H,11,13).
What are the key properties of 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 177.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 134611902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).