6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione

C17H16FIN4O3 — CID 143711373

IUPAC6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)ccc21
InChIInChI=1S/C17H16FIN4O3/c1-22-14-4-6-23(26-7-5-20)17(25)16(14)13(9-15(22)24)21-12-3-2-10(19)8-11(12)18/h2-4,6,8-9,21H,5,7,20H2,1H3
InChIKeyQRDCJOCVGNSPHC-UHFFFAOYSA-N
MW470.24 g/mol
LogP1.57
Rot. Bonds5

About 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione

6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione (PubChem CID 143711373) has the molecular formula C17H16FIN4O3 and a molecular weight of 470.24 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
PubChem CID143711373
Molecular FormulaC17H16FIN4O3
Molecular Weight470.24 g/mol
Exact Mass470.03
IUPAC Name6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)ccc21
InChIInChI=1S/C17H16FIN4O3/c1-22-14-4-6-23(26-7-5-20)17(25)16(14)13(9-15(22)24)21-12-3-2-10(19)8-11(12)18/h2-4,6,8-9,21H,5,7,20H2,1H3
InChIKeyQRDCJOCVGNSPHC-UHFFFAOYSA-N
XLogP1.57
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24966788
methyl 5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylate
CID 25072119
5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylic acid
CID 25072121
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
3-[(2R)-2,3-dihydroxypropoxy]-5-(2-fluoro-4-iodoanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 89256850
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
3-[(2R)-2,3-dihydroxypropoxy]-5-(2-fluoro-4-iodoanilino)-1,6-dimethyl-1,6-naphthyridine-4,7-dione
CID 25072442
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 91604554
1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine
CID 159282934
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838
6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione
CID 158499829

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione?
The IUPAC name of 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione (CID 143711373) is 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione is Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCN)ccc21.
What is the InChIKey of 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione?
The InChIKey is QRDCJOCVGNSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN4O3/c1-22-14-4-6-23(26-7-5-20)17(25)16(14)13(9-15(22)24)21-12-3-2-10(19)8-11(12)18/h2-4,6,8-9,21H,5,7,20H2,1H3.
What are the key properties of 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione?
6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione has a molecular weight of 470.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 143711373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).