4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one

C16H12BrNO3 — CID 139230707

IUPAC4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
SMILESCOc1ccc(-n2c(O)c(Br)c3ccccc3c2=O)cc1
InChIInChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-15(19)13-5-3-2-4-12(13)14(17)16(18)20/h2-9,20H,1H3
InChIKeyHXAZPGMTLVOFPE-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.47
Rot. Bonds2

About 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one

4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one (PubChem CID 139230707) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
PubChem CID139230707
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
SMILESCOc1ccc(-n2c(O)c(Br)c3ccccc3c2=O)cc1
InChIInChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-15(19)13-5-3-2-4-12(13)14(17)16(18)20/h2-9,20H,1H3
InChIKeyHXAZPGMTLVOFPE-UHFFFAOYSA-N
XLogP3.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 135874190
N-[(E)-[3-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]benzenesulfonamide
CID 135411409
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
CID 140970646
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one?
The IUPAC name of 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one (CID 139230707) is 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one.
What is the SMILES notation for 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one?
The canonical SMILES for 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one is COc1ccc(-n2c(O)c(Br)c3ccccc3c2=O)cc1.
What is the InChIKey of 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one?
The InChIKey is HXAZPGMTLVOFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-15(19)13-5-3-2-4-12(13)14(17)16(18)20/h2-9,20H,1H3.
What are the key properties of 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one?
4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one has a molecular weight of 346.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one is sourced from PubChem (CID 139230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).