7-benzyl-2,4-dihydro-1H-isoquinolin-3-one

C16H15NO — CID 139839851

IUPAC7-benzyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccc(Cc3ccccc3)cc2CN1
InChIInChI=1S/C16H15NO/c18-16-10-14-7-6-13(9-15(14)11-17-16)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,17,18)
InChIKeyZZAQIMJNWLDHKC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds2

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

7-benzyl-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 139839851) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name7-benzyl-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID139839851
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name7-benzyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccc(Cc3ccccc3)cc2CN1
InChIInChI=1S/C16H15NO/c18-16-10-14-7-6-13(9-15(14)11-17-16)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,17,18)
InChIKeyZZAQIMJNWLDHKC-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydroisoquinolin-1(2H)-one
CID 150896
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
CID 28576
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]phenyl}pentanamide
CID 10271564
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
VU0240382
CID 51346799
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680
N-methyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216683
(3R)-3-N-[(2R)-1-cyclohexyl-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxamide
CID 134355432
1,2,3,8,9,9a-hexahydro-7H-benzo[de]-1,7-naphthyridin-7-one
CID 25143886

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one (CID 139839851) is 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one is O=C1Cc2ccc(Cc3ccccc3)cc2CN1.
What is the InChIKey of 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is ZZAQIMJNWLDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-10-14-7-6-13(9-15(14)11-17-16)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,17,18).
What are the key properties of 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one?
7-benzyl-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 237.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 139839851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).