2,4-bis(4-hydroxyphenyl)isoquinolin-1-one

C21H15NO3 — CID 144586791

IUPAC2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1
InChIInChI=1S/C21H15NO3/c23-16-9-5-14(6-10-16)20-13-22(15-7-11-17(24)12-8-15)21(25)19-4-2-1-3-18(19)20/h1-13,23-24H
InChIKeyLVHPVVMFUHKPEH-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.07
Rot. Bonds2

About 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one

2,4-bis(4-hydroxyphenyl)isoquinolin-1-one (PubChem CID 144586791) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
PubChem CID144586791
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1
InChIInChI=1S/C21H15NO3/c23-16-9-5-14(6-10-16)20-13-22(15-7-11-17(24)12-8-15)21(25)19-4-2-1-3-18(19)20/h1-13,23-24H
InChIKeyLVHPVVMFUHKPEH-UHFFFAOYSA-N
XLogP4.07
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one?
The IUPAC name of 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one (CID 144586791) is 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one.
What is the SMILES notation for 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one?
The canonical SMILES for 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one is O=c1c2ccccc2c(-c2ccc(O)cc2)cn1-c1ccc(O)cc1.
What is the InChIKey of 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one?
The InChIKey is LVHPVVMFUHKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-16-9-5-14(6-10-16)20-13-22(15-7-11-17(24)12-8-15)21(25)19-4-2-1-3-18(19)20/h1-13,23-24H.
What are the key properties of 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one?
2,4-bis(4-hydroxyphenyl)isoquinolin-1-one has a molecular weight of 329.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-hydroxyphenyl)isoquinolin-1-one is sourced from PubChem (CID 144586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).