1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

C20H12ClF9N4O2 — CID 134360179

About 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134360179) has the molecular formula C20H12ClF9N4O2 and a molecular weight of 546.78 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134360179
• Molecular Formula: C20H12ClF9N4O2
• Molecular Weight: 546.78 g/mol
• Exact Mass: 546.05
• IUPAC Name: 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C(F)(F)F)C(F)(F)F)cn2-c1c(F)cc(F)cc1Cl
• InChI: InChI=1S/C20H12ClF9N4O2/c1-33(2)16-12(24)5-8-14(35)9(17(36)32-18(19(25,26)27)20(28,29)30)6-34(15(8)31-16)13-10(21)3-7(22)4-11(13)23/h3-6,18H,1-2H3,(H,32,36)
• InChIKey: QZUCOJMIDPCGOP-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.78
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134360179) is 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is CN(C)c1nc2c(cc1F)c(=O)c(C(=O)NC(C(F)(F)F)C(F)(F)F)cn2-c1c(F)cc(F)cc1Cl.

What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is QZUCOJMIDPCGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF9N4O2/c1-33(2)16-12(24)5-8-14(35)9(17(36)32-18(19(25,26)27)20(28,29)30)6-34(15(8)31-16)13-10(21)3-7(22)4-11(13)23/h3-6,18H,1-2H3,(H,32,36).

What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 546.78 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4,6-difluorophenyl)-7-(dimethylamino)-6-fluoro-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134360179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).