3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one

C16H18N2O2 — CID 161236583

IUPAC3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)[nH]c(=O)c1.O=C1NCCc2ccccc21
InChIInChI=1S/C9H9NO.C7H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9;1-5-3-6(2)8-7(9)4-5/h1-4H,5-6H2,(H,10,11);3-4H,1-2H3,(H,8,9)
InChIKeyUZLHJDTUJCYFPM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.96
Rot. Bonds

About 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one

3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one (PubChem CID 161236583) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one
PubChem CID161236583
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)[nH]c(=O)c1.O=C1NCCc2ccccc21
InChIInChI=1S/C9H9NO.C7H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9;1-5-3-6(2)8-7(9)4-5/h1-4H,5-6H2,(H,10,11);3-4H,1-2H3,(H,8,9)
InChIKeyUZLHJDTUJCYFPM-UHFFFAOYSA-N
XLogP1.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dichloromethane;3,4-dihydro-2H-isoquinolin-1-one;ethane
CID 91339125
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 22890891
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
4,6-dimethyl-1H-pyridin-2-one;ethane
CID 91063629
2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one
CID 11118116
4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
CID 118587446
ethane;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 144695730
28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
CID 102074227
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330
2,3-dihydroisoindol-1-one;methane
CID 161271775
1,2,3,5,6,7-hexahydro-3,5-benzodiazonin-4-one
CID 22722283
6-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70291894

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one (CID 161236583) is 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)[nH]c(=O)c1.O=C1NCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is UZLHJDTUJCYFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C7H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9;1-5-3-6(2)8-7(9)4-5/h1-4H,5-6H2,(H,10,11);3-4H,1-2H3,(H,8,9).
What are the key properties of 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one?
3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 270.33 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 161236583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).