[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium

C22H16IN2O4+ — CID 54697993

IUPAC[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium
SMILESCOC(=O)c1cccc(-n2c(=O)c([I+]c3ccccc3)c(O)c3cccnc32)c1
InChIInChI=1S/C22H15IN2O4/c1-29-22(28)14-7-5-10-16(13-14)25-20-17(11-6-12-24-20)19(26)18(21(25)27)23-15-8-3-2-4-9-15/h2-13H,1H3/p+1
InChIKeySLUPTBOPAWQBAL-UHFFFAOYSA-O
MW499.28 g/mol
LogP0.01
Rot. Bonds4

About [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium

[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium (PubChem CID 54697993) has the molecular formula C22H16IN2O4+ and a molecular weight of 499.28 g/mol. Its IUPAC name is [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium.

Molecular Properties

Compound Name[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium
PubChem CID54697993
Molecular FormulaC22H16IN2O4+
Molecular Weight499.28 g/mol
Exact Mass499.01
IUPAC Name[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium
SMILESCOC(=O)c1cccc(-n2c(=O)c([I+]c3ccccc3)c(O)c3cccnc32)c1
InChIInChI=1S/C22H15IN2O4/c1-29-22(28)14-7-5-10-16(13-14)25-20-17(11-6-12-24-20)19(26)18(21(25)27)23-15-8-3-2-4-9-15/h2-13H,1H3/p+1
InChIKeySLUPTBOPAWQBAL-UHFFFAOYSA-O
XLogP0.01
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-phenyliodanium
CID 87903535
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
methyl 3-[3-[(5-methyl-2-pyridinyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862096
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129
4-hydroxy-1-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727123
4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676176

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium?
The IUPAC name of [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium (CID 54697993) is [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium.
What is the SMILES notation for [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium?
The canonical SMILES for [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium is COC(=O)c1cccc(-n2c(=O)c([I+]c3ccccc3)c(O)c3cccnc32)c1.
What is the InChIKey of [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium?
The InChIKey is SLUPTBOPAWQBAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H15IN2O4/c1-29-22(28)14-7-5-10-16(13-14)25-20-17(11-6-12-24-20)19(26)18(21(25)27)23-15-8-3-2-4-9-15/h2-13H,1H3/p+1.
What are the key properties of [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium?
[4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium has a molecular weight of 499.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(3-methoxycarbonylphenyl)-2-oxo-1,8-naphthyridin-3-yl]-phenyliodanium is sourced from PubChem (CID 54697993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).