1-phenyl-2,4-dihydro-1H-isoquinolin-3-one

C15H13NO — CID 28576

IUPAC1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)N1
InChIInChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKeyIAOCKKZVKNCZPK-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.45
Rot. Bonds1

About 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one

1-phenyl-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 28576) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID28576
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)N1
InChIInChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKeyIAOCKKZVKNCZPK-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
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
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
6-Phenylpiperidin-2-one
CID 600225
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
1'-(cis-4-Isopropylcyclohexyl)-1,2-dihydro-3H-spiro[isoquinoline-4,4'-piperidin]-3-one
CID 24776407
VU0240382
CID 51346799
1,2,3,8,9,9a-hexahydro-7H-benzo[de]-1,7-naphthyridin-7-one
CID 25143886
2-phenyl-N-(1-phenylethyl)acetamide
CID 2826774
3(2H)-Isoquinolinone, 1,4-dihydro-1-(4-aminophenyl)-4-(1-methylethyl)-
CID 100006

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one (CID 28576) is 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one is O=C1Cc2ccccc2C(c2ccccc2)N1.
What is the InChIKey of 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is IAOCKKZVKNCZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17).
What are the key properties of 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one?
1-phenyl-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 223.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 28576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).