1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one

C23H16N2O — CID 10042636

IUPAC1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(-c3ccccc3)[nH]c(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C23H16N2O/c26-23-18-14-8-7-13-17(18)19-20(15-9-3-1-4-10-15)24-21(22(19)25-23)16-11-5-2-6-12-16/h1-14,24H,(H,25,26)
InChIKeyQVEPMIKXTUABRJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.34
Rot. Bonds2

About 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one

1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one (PubChem CID 10042636) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one
PubChem CID10042636
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(-c3ccccc3)[nH]c(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C23H16N2O/c26-23-18-14-8-7-13-17(18)19-20(15-9-3-1-4-10-15)24-21(22(19)25-23)16-11-5-2-6-12-16/h1-14,24H,(H,25,26)
InChIKeyQVEPMIKXTUABRJ-UHFFFAOYSA-N
XLogP5.34
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one?
The IUPAC name of 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one (CID 10042636) is 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one.
What is the SMILES notation for 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one?
The canonical SMILES for 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one is O=c1[nH]c2c(-c3ccccc3)[nH]c(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one?
The InChIKey is QVEPMIKXTUABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23-18-14-8-7-13-17(18)19-20(15-9-3-1-4-10-15)24-21(22(19)25-23)16-11-5-2-6-12-16/h1-14,24H,(H,25,26).
What are the key properties of 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one?
1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one has a molecular weight of 336.39 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,4-dihydropyrrolo[3,4-c]isoquinolin-5-one is sourced from PubChem (CID 10042636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).