2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate

C24H21IN2O5 — CID 87903496

IUPAC2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate
SMILESCOc1cc(Cn2c(=O)c([I+]c3ccccc3)c([O-])c3cccnc32)cc(OC)c1OC
InChIInChI=1S/C24H21IN2O5/c1-30-18-12-15(13-19(31-2)22(18)32-3)14-27-23-17(10-7-11-26-23)21(28)20(24(27)29)25-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3
InChIKeyRFWWXDAIWZFDBW-UHFFFAOYSA-N
MW544.35 g/mol
LogP-0.33
Rot. Bonds7

About 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate

2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate (PubChem CID 87903496) has the molecular formula C24H21IN2O5 and a molecular weight of 544.35 g/mol. Its IUPAC name is 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate.

Molecular Properties

Compound Name2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate
PubChem CID87903496
Molecular FormulaC24H21IN2O5
Molecular Weight544.35 g/mol
Exact Mass544.05
IUPAC Name2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate
SMILESCOc1cc(Cn2c(=O)c([I+]c3ccccc3)c([O-])c3cccnc32)cc(OC)c1OC
InChIInChI=1S/C24H21IN2O5/c1-30-18-12-15(13-19(31-2)22(18)32-3)14-27-23-17(10-7-11-26-23)21(28)20(24(27)29)25-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3
InChIKeyRFWWXDAIWZFDBW-UHFFFAOYSA-N
XLogP-0.33
TPSA85.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate with MolForge

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Related Compounds

Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
Piperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxycinnamoyl)-
CID 6445118
2-(4-bromophenoxy)-N-(2-pyridinyl)-N-(3,4,5-trimethoxybenzyl)acetamide
CID 16015916
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide
CID 659323
3,4,5-triethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 649583
(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1318862
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3,4,5-trimethoxy-benzamide
CID 1452715
4-Methyl-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015891
3-Methyl-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015893
2-(4-chlorophenoxy)-N-(pyridin-2-yl)-N-(3,4,5-trimethoxybenzyl)acetamide
CID 16015915

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate?
The IUPAC name of 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate (CID 87903496) is 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate.
What is the SMILES notation for 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate?
The canonical SMILES for 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate is COc1cc(Cn2c(=O)c([I+]c3ccccc3)c([O-])c3cccnc32)cc(OC)c1OC.
What is the InChIKey of 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate?
The InChIKey is RFWWXDAIWZFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21IN2O5/c1-30-18-12-15(13-19(31-2)22(18)32-3)14-27-23-17(10-7-11-26-23)21(28)20(24(27)29)25-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3.
What are the key properties of 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate?
2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate has a molecular weight of 544.35 g/mol, XLogP of -0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenyliodonio-1-[(3,4,5-trimethoxyphenyl)methyl]-1,8-naphthyridin-4-olate is sourced from PubChem (CID 87903496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).