N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C24H16Cl2F3N5O3 — CID 155051295

IUPACN-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3O)ccc2c1=O
InChIInChI=1S/C24H16Cl2F3N5O3/c25-14-2-1-3-15(26)19(14)32-23(36)13-10-34(20-16(28)8-11(27)9-17(20)29)22-12(21(13)35)4-5-18(31-22)33-7-6-30-24(33)37/h1-5,8-10,24,30,37H,6-7H2,(H,32,36)
InChIKeyCUFWGSIXCHUODL-UHFFFAOYSA-N
MW550.32 g/mol
LogP4.05
Rot. Bonds4

About N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 155051295) has the molecular formula C24H16Cl2F3N5O3 and a molecular weight of 550.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID155051295
Molecular FormulaC24H16Cl2F3N5O3
Molecular Weight550.32 g/mol
Exact Mass549.06
IUPAC NameN-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3O)ccc2c1=O
InChIInChI=1S/C24H16Cl2F3N5O3/c25-14-2-1-3-15(26)19(14)32-23(36)13-10-34(20-16(28)8-11(27)9-17(20)29)22-12(21(13)35)4-5-18(31-22)33-7-6-30-24(33)37/h1-5,8-10,24,30,37H,6-7H2,(H,32,36)
InChIKeyCUFWGSIXCHUODL-UHFFFAOYSA-N
XLogP4.05
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.32
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 155051295) is N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCNC3O)ccc2c1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is CUFWGSIXCHUODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N5O3/c25-14-2-1-3-15(26)19(14)32-23(36)13-10-34(20-16(28)8-11(27)9-17(20)29)22-12(21(13)35)4-5-18(31-22)33-7-6-30-24(33)37/h1-5,8-10,24,30,37H,6-7H2,(H,32,36).
What are the key properties of N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 550.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155051295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).