N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide

C49H56Cl2N8O11S — CID 159231213

About N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide

N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide (PubChem CID 159231213) has the molecular formula C49H56Cl2N8O11S and a molecular weight of 1036.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide
• PubChem CID: 159231213
• Molecular Formula: C49H56Cl2N8O11S
• Molecular Weight: 1036.00 g/mol
• Exact Mass: 1034.32
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide
• SMILES: CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(=O)[nH]c21.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.O=S=O
• InChI: InChI=1S/C25H29ClN4O4.C24H27ClN4O5.O2S/c1-16-5-8-18-11-20(23(33)27-12-17-6-9-19(26)10-7-17)24(34)30(22(18)28-16)13-21(32)29(4)14-25(2,3)15-31;1-24(2,14-30)13-28(3)20(32)12-29-21-16(6-9-19(31)27-21)10-18(23(29)34)22(33)26-11-15-4-7-17(25)8-5-15;1-3-2/h5-11,31H,12-15H2,1-4H3,(H,27,33);4-10,30H,11-14H2,1-3H3,(H,26,33)(H,27,31)
• InChIKey: KSXQEYJKBAYLPK-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 263.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.00
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide (CID 159231213) is N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide is CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(=O)[nH]c21.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.O=S=O.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide?

The InChIKey is KSXQEYJKBAYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4.C24H27ClN4O5.O2S/c1-16-5-8-18-11-20(23(33)27-12-17-6-9-19(26)10-7-17)24(34)30(22(18)28-16)13-21(32)29(4)14-25(2,3)15-31;1-24(2,14-30)13-28(3)20(32)12-29-21-16(6-9-19(31)27-21)10-18(23(29)34)22(33)26-11-15-4-7-17(25)8-5-15;1-3-2/h5-11,31H,12-15H2,1-4H3,(H,27,33);4-10,30H,11-14H2,1-3H3,(H,26,33)(H,27,31);.

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide?

N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide has a molecular weight of 1036.00 g/mol, XLogP of 3.85, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2,7-dioxo-8H-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 159231213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).