tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide

C105H112Cl4N22O19S — CID 158280488

About tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide (PubChem CID 158280488) has the molecular formula C105H112Cl4N22O19S and a molecular weight of 2160.06 g/mol. Its IUPAC name is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide.

Molecular Properties

• Compound Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide
• PubChem CID: 158280488
• Molecular Formula: C105H112Cl4N22O19S
• Molecular Weight: 2160.06 g/mol
• Exact Mass: 2156.69
• IUPAC Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.CNCC(C)(C)CO.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.O=S=O.c1c[nH]cn1
• InChI: InChI=1S/C27H29ClN6O4.C25H24ClN5O4.C23H24ClN3O4.C21H16ClN5O4.C6H15NO.C3H4N2.O2S/c1-27(2,16-35)15-32(3)23(36)14-34-24-19(6-9-22(31-24)33-11-10-29-17-33)12-21(26(34)38)25(37)30-13-18-4-7-20(28)8-5-18;1-25(2,3)35-21(32)14-31-22-17(6-9-20(29-22)30-11-10-27-15-30)12-19(24(31)34)23(33)28-13-16-4-7-18(26)8-5-16;1-14-5-8-16-11-18(21(29)25-12-15-6-9-17(24)10-7-15)22(30)27(20(16)26-14)13-19(28)31-23(2,3)4;22-15-4-1-13(2-5-15)10-24-20(30)16-9-14-3-6-17(26-8-7-23-12-26)25-19(14)27(21(16)31)11-18(28)29;1-6(2,5-8)4-7-3;1-2-5-3-4-1;1-3-2/h4-12,17,35H,13-16H2,1-3H3,(H,30,37);4-12,15H,13-14H2,1-3H3,(H,28,33);5-11H,12-13H2,1-4H3,(H,25,29);1-9,12H,10-11H2,(H,24,30)(H,28,29);7-8H,4-5H2,1-3H3;1-3H,(H,4,5)
• InChIKey: GKDNXHRFTRUCIU-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 534.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2160.06
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide?

The IUPAC name of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide (CID 158280488) is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide.

What is the SMILES notation for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide?

The canonical SMILES for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.CN(CC(C)(C)CO)C(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.CNCC(C)(C)CO.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.O=C(O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(-n3ccnc3)nc21.O=S=O.c1c[nH]cn1.

What is the InChIKey of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide?

The InChIKey is GKDNXHRFTRUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O4.C25H24ClN5O4.C23H24ClN3O4.C21H16ClN5O4.C6H15NO.C3H4N2.O2S/c1-27(2,16-35)15-32(3)23(36)14-34-24-19(6-9-22(31-24)33-11-10-29-17-33)12-21(26(34)38)25(37)30-13-18-4-7-20(28)8-5-18;1-25(2,3)35-21(32)14-31-22-17(6-9-20(29-22)30-11-10-27-15-30)12-19(24(31)34)23(33)28-13-16-4-7-18(26)8-5-16;1-14-5-8-16-11-18(21(29)25-12-15-6-9-17(24)10-7-15)22(30)27(20(16)26-14)13-19(28)31-23(2,3)4;22-15-4-1-13(2-5-15)10-24-20(30)16-9-14-3-6-17(26-8-7-23-12-26)25-19(14)27(21(16)31)11-18(28)29;1-6(2,5-8)4-7-3;1-2-5-3-4-1;1-3-2/h4-12,17,35H,13-16H2,1-3H3,(H,30,37);4-12,15H,13-14H2,1-3H3,(H,28,33);5-11H,12-13H2,1-4H3,(H,25,29);1-9,12H,10-11H2,(H,24,30)(H,28,29);7-8H,4-5H2,1-3H3;1-3H,(H,4,5);.

What are the key properties of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide?

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide has a molecular weight of 2160.06 g/mol, XLogP of 11.99, 29 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-imidazol-1-yl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;1H-imidazole;sulfur dioxide is sourced from PubChem (CID 158280488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).