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

C101H84Cl4FN15O12S4 — CID 157338789

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

N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 157338789) has the molecular formula C101H84Cl4FN15O12S4 and a molecular weight of 1988.95 g/mol. Its IUPAC name is N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
• PubChem CID: 157338789
• Molecular Formula: C101H84Cl4FN15O12S4
• Molecular Weight: 1988.95 g/mol
• Exact Mass: 1985.40
• IUPAC Name: N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1F
• InChI: InChI=1S/C26H21ClFN3O3S.3C25H21ClN4O3S/c27-23-10-7-18(15-22(23)25-20-6-2-1-5-17(20)11-12-29-25)30-26(32)21-9-8-19(16-24(21)28)31-13-3-4-14-35(31,33)34;26-22-9-6-19(15-21(22)24-10-5-18-16-27-12-11-23(18)29-24)28-25(31)17-3-7-20(8-4-17)30-13-1-2-14-34(30,32)33;26-21-10-7-18(16-20(21)22-11-12-23-24(29-22)4-3-13-27-23)28-25(31)17-5-8-19(9-6-17)30-14-1-2-15-34(30,32)33;26-22-12-9-19(15-21(22)24-27-16-18-5-1-2-6-23(18)29-24)28-25(31)17-7-10-20(11-8-17)30-13-3-4-14-34(30,32)33/h1-2,5-12,15-16H,3-4,13-14H2,(H,30,32);3-12,15-16H,1-2,13-14H2,(H,28,31);3-13,16H,1-2,14-15H2,(H,28,31);1-2,5-12,15-16H,3-4,13-14H2,(H,28,31)
• InChIKey: BGDPNWZNTLYCLP-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 356.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.95
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 157338789) is N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

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

The canonical SMILES for N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ccc3ncccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1F.

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

The InChIKey is BGDPNWZNTLYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O3S.3C25H21ClN4O3S/c27-23-10-7-18(15-22(23)25-20-6-2-1-5-17(20)11-12-29-25)30-26(32)21-9-8-19(16-24(21)28)31-13-3-4-14-35(31,33)34;26-22-9-6-19(15-21(22)24-10-5-18-16-27-12-11-23(18)29-24)28-25(31)17-3-7-20(8-4-17)30-13-1-2-14-34(30,32)33;26-21-10-7-18(16-20(21)22-11-12-23-24(29-22)4-3-13-27-23)28-25(31)17-5-8-19(9-6-17)30-14-1-2-15-34(30,32)33;26-22-12-9-19(15-21(22)24-27-16-18-5-1-2-6-23(18)29-24)28-25(31)17-7-10-20(11-8-17)30-13-3-4-14-34(30,32)33/h1-2,5-12,15-16H,3-4,13-14H2,(H,30,32);3-12,15-16H,1-2,13-14H2,(H,28,31);3-13,16H,1-2,14-15H2,(H,28,31);1-2,5-12,15-16H,3-4,13-14H2,(H,28,31).

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

N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 1988.95 g/mol, XLogP of 21.27, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 157338789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).