N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide

C97H77Cl3FN15O16S4 — CID 157436019

About N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide (PubChem CID 157436019) has the molecular formula C97H77Cl3FN15O16S4 and a molecular weight of 1962.40 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide
• PubChem CID: 157436019
• Molecular Formula: C97H77Cl3FN15O16S4
• Molecular Weight: 1962.40 g/mol
• Exact Mass: 1959.36
• IUPAC Name: N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1F
• InChI: InChI=1S/C25H20FN3O4S.3C24H19ClN4O4S/c26-23-15-20(29-16-33-12-13-34(29,31)32)8-9-22(23)25(30)28-19-6-3-5-18(14-19)24-21-7-2-1-4-17(21)10-11-27-24;25-21-7-4-18(13-20(21)23-8-3-17-14-26-10-9-22(17)28-23)27-24(30)16-1-5-19(6-2-16)29-15-33-11-12-34(29,31)32;25-20-8-5-17(14-19(20)21-9-10-22-23(28-21)2-1-11-26-22)27-24(30)16-3-6-18(7-4-16)29-15-33-12-13-34(29,31)32;25-21-10-7-18(13-20(21)23-26-14-17-3-1-2-4-22(17)28-23)27-24(30)16-5-8-19(9-6-16)29-15-33-11-12-34(29,31)32/h1-11,14-15H,12-13,16H2,(H,28,30);1-10,13-14H,11-12,15H2,(H,27,30);1-11,14H,12-13,15H2,(H,27,30);1-10,13-14H,11-12,15H2,(H,27,30)
• InChIKey: BRCLNDLKERDUQH-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 393.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.40
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide?

The IUPAC name of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide (CID 157436019) is N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide.

What is the SMILES notation for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide?

The canonical SMILES for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1F.

What is the InChIKey of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide?

The InChIKey is BRCLNDLKERDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S.3C24H19ClN4O4S/c26-23-15-20(29-16-33-12-13-34(29,31)32)8-9-22(23)25(30)28-19-6-3-5-18(14-19)24-21-7-2-1-4-17(21)10-11-27-24;25-21-7-4-18(13-20(21)23-8-3-17-14-26-10-9-22(17)28-23)27-24(30)16-1-5-19(6-2-16)29-15-33-11-12-34(29,31)32;25-20-8-5-17(14-19(20)21-9-10-22-23(28-21)2-1-11-26-22)27-24(30)16-3-6-18(7-4-16)29-15-33-12-13-34(29,31)32;25-21-10-7-18(13-20(21)23-26-14-17-3-1-2-4-22(17)28-23)27-24(30)16-5-8-19(9-6-16)29-15-33-11-12-34(29,31)32/h1-11,14-15H,12-13,16H2,(H,28,30);1-10,13-14H,11-12,15H2,(H,27,30);1-11,14H,12-13,15H2,(H,27,30);1-10,13-14H,11-12,15H2,(H,27,30).

What are the key properties of N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide?

N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide has a molecular weight of 1962.40 g/mol, XLogP of 17.40, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide is sourced from PubChem (CID 157436019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).