2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one

C20H20N2O2 — CID 72936620

IUPAC2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3Cc4ccccc4C(O)C3)cc(=O)c2c1
InChIInChI=1S/C20H20N2O2/c1-13-6-7-18-17(8-13)19(23)9-15(21-18)11-22-10-14-4-2-3-5-16(14)20(24)12-22/h2-9,20,24H,10-12H2,1H3,(H,21,23)
InChIKeyZOZCXXYLTSIIDV-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.89
Rot. Bonds2

About 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one

2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 72936620) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
PubChem CID72936620
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3Cc4ccccc4C(O)C3)cc(=O)c2c1
InChIInChI=1S/C20H20N2O2/c1-13-6-7-18-17(8-13)19(23)9-15(21-18)11-22-10-14-4-2-3-5-16(14)20(24)12-22/h2-9,20,24H,10-12H2,1H3,(H,21,23)
InChIKeyZOZCXXYLTSIIDV-UHFFFAOYSA-N
XLogP2.89
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one (CID 72936620) is 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3Cc4ccccc4C(O)C3)cc(=O)c2c1.
What is the InChIKey of 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is ZOZCXXYLTSIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-6-7-18-17(8-13)19(23)9-15(21-18)11-22-10-14-4-2-3-5-16(14)20(24)12-22/h2-9,20,24H,10-12H2,1H3,(H,21,23).
What are the key properties of 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one?
2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 320.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 72936620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).