3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one

C26H18N2O — CID 141302010

IUPAC3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccn1
InChIInChI=1S/C26H18N2O/c29-26-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19)25(20-13-5-2-6-14-20)28(26)23-17-9-10-18-27-23/h1-18H
InChIKeyPXMZBMUYGCRTJB-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.72
Rot. Bonds3

About 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one

3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one (PubChem CID 141302010) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one
PubChem CID141302010
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccn1
InChIInChI=1S/C26H18N2O/c29-26-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19)25(20-13-5-2-6-14-20)28(26)23-17-9-10-18-27-23/h1-18H
InChIKeyPXMZBMUYGCRTJB-UHFFFAOYSA-N
XLogP5.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one?
The IUPAC name of 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one (CID 141302010) is 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one.
What is the SMILES notation for 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one?
The canonical SMILES for 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one is O=c1c2ccccc2c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccn1.
What is the InChIKey of 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one?
The InChIKey is PXMZBMUYGCRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c29-26-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19)25(20-13-5-2-6-14-20)28(26)23-17-9-10-18-27-23/h1-18H.
What are the key properties of 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one?
3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one has a molecular weight of 374.44 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2-pyridin-2-ylisoquinolin-1-one is sourced from PubChem (CID 141302010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).