6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione

C73H68F6I4N12O16 — CID 161211001

IUPAC6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione
SMILESCc1c(Nc2ccc(I)cc2F)c2c(=O)c(OCCO)cn(C)c2n(C)c1=O.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)ccn(CCO)c21.Cn1cc(OCCO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21.Cn1cc(OC[C@@H](O)CO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21
InChIInChI=1S/C19H18F2IN3O5.C19H19FIN3O4.C18H16F2IN3O4.C17H15FIN3O3/c1-24-6-13(30-8-10(27)7-26)17(28)14-16(15(21)19(29)25(2)18(14)24)23-12-4-3-9(22)5-11(12)20;1-10-16(22-13-5-4-11(21)8-12(13)20)15-17(26)14(28-7-6-25)9-23(2)18(15)24(3)19(10)27;1-23-8-12(28-6-5-25)16(26)13-15(14(20)18(27)24(2)17(13)23)22-11-4-3-9(21)7-10(11)19;1-21-15(25)9-13(20-12-3-2-10(19)8-11(12)18)16-14(24)4-5-22(6-7-23)17(16)21/h3-6,10,23,26-27H,7-8H2,1-2H3;4-5,8-9,22,25H,6-7H2,1-3H3;3-4,7-8,22,25H,5-6H2,1-2H3;2-5,8-9,20,23H,6-7H2,1H3/t10-;;;/m0.../s1
InChIKeyUWFQWVAIUSSHBS-KAFJHEIMSA-N
MW1991.02 g/mol
LogP8.41
Rot. Bonds20

About 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione

6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione (PubChem CID 161211001) has the molecular formula C73H68F6I4N12O16 and a molecular weight of 1991.02 g/mol. Its IUPAC name is 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione.

Molecular Properties

Compound Name6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione
PubChem CID161211001
Molecular FormulaC73H68F6I4N12O16
Molecular Weight1991.02 g/mol
Exact Mass1990.10
IUPAC Name6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione
SMILESCc1c(Nc2ccc(I)cc2F)c2c(=O)c(OCCO)cn(C)c2n(C)c1=O.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)ccn(CCO)c21.Cn1cc(OCCO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21.Cn1cc(OC[C@@H](O)CO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21
InChIInChI=1S/C19H18F2IN3O5.C19H19FIN3O4.C18H16F2IN3O4.C17H15FIN3O3/c1-24-6-13(30-8-10(27)7-26)17(28)14-16(15(21)19(29)25(2)18(14)24)23-12-4-3-9(22)5-11(12)20;1-10-16(22-13-5-4-11(21)8-12(13)20)15-17(26)14(28-7-6-25)9-23(2)18(15)24(3)19(10)27;1-23-8-12(28-6-5-25)16(26)13-15(14(20)18(27)24(2)17(13)23)22-11-4-3-9(21)7-10(11)19;1-21-15(25)9-13(20-12-3-2-10(19)8-11(12)18)16-14(24)4-5-22(6-7-23)17(16)21/h3-6,10,23,26-27H,7-8H2,1-2H3;4-5,8-9,22,25H,6-7H2,1-3H3;3-4,7-8,22,25H,5-6H2,1-2H3;2-5,8-9,20,23H,6-7H2,1H3/t10-;;;/m0.../s1
InChIKeyUWFQWVAIUSSHBS-KAFJHEIMSA-N
XLogP8.41
TPSA352.96 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001991.02
LogP ≤ 58.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione?
The IUPAC name of 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione (CID 161211001) is 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione.
What is the SMILES notation for 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione?
The canonical SMILES for 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione is Cc1c(Nc2ccc(I)cc2F)c2c(=O)c(OCCO)cn(C)c2n(C)c1=O.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)ccn(CCO)c21.Cn1cc(OCCO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21.Cn1cc(OC[C@@H](O)CO)c(=O)c2c(Nc3ccc(I)cc3F)c(F)c(=O)n(C)c21.
What is the InChIKey of 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione?
The InChIKey is UWFQWVAIUSSHBS-KAFJHEIMSA-N. The full InChI is InChI=1S/C19H18F2IN3O5.C19H19FIN3O4.C18H16F2IN3O4.C17H15FIN3O3/c1-24-6-13(30-8-10(27)7-26)17(28)14-16(15(21)19(29)25(2)18(14)24)23-12-4-3-9(22)5-11(12)20;1-10-16(22-13-5-4-11(21)8-12(13)20)15-17(26)14(28-7-6-25)9-23(2)18(15)24(3)19(10)27;1-23-8-12(28-6-5-25)16(26)13-15(14(20)18(27)24(2)17(13)23)22-11-4-3-9(21)7-10(11)19;1-21-15(25)9-13(20-12-3-2-10(19)8-11(12)18)16-14(24)4-5-22(6-7-23)17(16)21/h3-6,10,23,26-27H,7-8H2,1-2H3;4-5,8-9,22,25H,6-7H2,1-3H3;3-4,7-8,22,25H,5-6H2,1-2H3;2-5,8-9,20,23H,6-7H2,1H3/t10-;;;/m0.../s1.
What are the key properties of 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione?
6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione has a molecular weight of 1991.02 g/mol, XLogP of 8.41, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2,3-dihydroxypropoxy]-3-fluoro-4-(2-fluoro-4-iodoanilino)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;3-fluoro-4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,8-dimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-6-(2-hydroxyethoxy)-1,3,8-trimethyl-1,8-naphthyridine-2,5-dione;4-(2-fluoro-4-iodoanilino)-8-(2-hydroxyethyl)-1-methyl-1,8-naphthyridine-2,5-dione is sourced from PubChem (CID 161211001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).