2-benzoyl-1,3-dihydroisoquinolin-4-one

C16H13NO2 — CID 15740840

IUPAC2-benzoyl-1,3-dihydroisoquinolin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H13NO2/c18-15-11-17(10-13-8-4-5-9-14(13)15)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyNUVAZTWDWHPKHC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.53
Rot. Bonds1

About 2-benzoyl-1,3-dihydroisoquinolin-4-one

2-benzoyl-1,3-dihydroisoquinolin-4-one (PubChem CID 15740840) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-benzoyl-1,3-dihydroisoquinolin-4-one.

Molecular Properties

Compound Name2-benzoyl-1,3-dihydroisoquinolin-4-one
PubChem CID15740840
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-benzoyl-1,3-dihydroisoquinolin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H13NO2/c18-15-11-17(10-13-8-4-5-9-14(13)15)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyNUVAZTWDWHPKHC-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-phenylbenzoyl)azetidin-3-one
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1-benzoylimidazolidin-4-one
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2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
1,3-dihydroisoindol-2-yl-[4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl]methanone
CID 171344383
3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
CID 157020459
cis-(1S,2R)-2-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 129467480
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1,3-dihydroisoquinolin-4-one?
The IUPAC name of 2-benzoyl-1,3-dihydroisoquinolin-4-one (CID 15740840) is 2-benzoyl-1,3-dihydroisoquinolin-4-one.
What is the SMILES notation for 2-benzoyl-1,3-dihydroisoquinolin-4-one?
The canonical SMILES for 2-benzoyl-1,3-dihydroisoquinolin-4-one is O=C1CN(C(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of 2-benzoyl-1,3-dihydroisoquinolin-4-one?
The InChIKey is NUVAZTWDWHPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-11-17(10-13-8-4-5-9-14(13)15)16(19)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-benzoyl-1,3-dihydroisoquinolin-4-one?
2-benzoyl-1,3-dihydroisoquinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1,3-dihydroisoquinolin-4-one is sourced from PubChem (CID 15740840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).