8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid

C17H13IN2O4 — CID 174704654

IUPAC8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(I)c2ccc(=O)n(CCc3ccccc3)c2c1O
InChIInChI=1S/C17H13IN2O4/c18-16-11-6-7-12(21)20(9-8-10-4-2-1-3-5-10)14(11)15(22)13(19-16)17(23)24/h1-7,22H,8-9H2,(H,23,24)
InChIKeyNUDFTLMUUJHFJW-UHFFFAOYSA-N
MW436.21 g/mol
LogP2.65
Rot. Bonds4

About 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid

8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid (PubChem CID 174704654) has the molecular formula C17H13IN2O4 and a molecular weight of 436.21 g/mol. Its IUPAC name is 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid
PubChem CID174704654
Molecular FormulaC17H13IN2O4
Molecular Weight436.21 g/mol
Exact Mass435.99
IUPAC Name8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid
SMILESO=C(O)c1nc(I)c2ccc(=O)n(CCc3ccccc3)c2c1O
InChIInChI=1S/C17H13IN2O4/c18-16-11-6-7-12(21)20(9-8-10-4-2-1-3-5-10)14(11)15(22)13(19-16)17(23)24/h1-7,22H,8-9H2,(H,23,24)
InChIKeyNUDFTLMUUJHFJW-UHFFFAOYSA-N
XLogP2.65
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-8-hydroxy-5-iodo-2-oxo-1,6-naphthyridine-7-carboxylic acid;methoxymethane
CID 174793630
5-hydroxy-2-methyl-6-oxo-1-[2-(4-phenylphenyl)ethyl]pyrimidine-4-carboxylic acid
CID 129147473
6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
CID 141445682
5,7-dimethyl-1-(2-phenylethyl)-1,8-naphthyridin-2-one
CID 139602583
1-(2-phenylethyl)-1,5-naphthyridin-2-one
CID 139602376
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
methyl 4-hydroxy-1-iodo-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174713333
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
1-(2-phenylethyl)-3-(2-sulfanylethyl)indole-2-carboxylic acid
CID 58763431
4-amino-3-(2-phenylethyl)quinazolin-2-one
CID 122714244
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid (CID 174704654) is 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid is O=C(O)c1nc(I)c2ccc(=O)n(CCc3ccccc3)c2c1O.
What is the InChIKey of 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is NUDFTLMUUJHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O4/c18-16-11-6-7-12(21)20(9-8-10-4-2-1-3-5-10)14(11)15(22)13(19-16)17(23)24/h1-7,22H,8-9H2,(H,23,24).
What are the key properties of 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid?
8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 436.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-iodo-2-oxo-1-(2-phenylethyl)-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 174704654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).