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

C96H111Cl4N17O25S4 — CID 158480716

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

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide) (PubChem CID 158480716) has the molecular formula C96H111Cl4N17O25S4 and a molecular weight of 2173.12 g/mol. Its IUPAC name is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide).

Molecular Properties

• Compound Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide)
• PubChem CID: 158480716
• Molecular Formula: C96H111Cl4N17O25S4
• Molecular Weight: 2173.12 g/mol
• Exact Mass: 2169.56
• IUPAC Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide)
• SMILES: CNCC(C)(C)CO.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.O=S=O.O=S=O.O=S=O.O=S=O
• InChI: InChI=1S/C25H30ClN5O4.C23H25ClN4O4.C23H24ClN3O4.C19H17ClN4O4.C6H15NO.4O2S/c1-25(2,15-32)14-30(4)21(33)13-31-22-17(7-10-20(27-3)29-22)11-19(24(31)35)23(34)28-12-16-5-8-18(26)9-6-16;1-23(2,3)32-19(29)13-28-20-15(7-10-18(25-4)27-20)11-17(22(28)31)21(30)26-12-14-5-8-16(24)9-6-14;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;1-21-15-7-4-12-8-14(19(28)24(10-16(25)26)17(12)23-15)18(27)22-9-11-2-5-13(20)6-3-11;1-6(2,5-8)4-7-3;4*1-3-2/h5-11,32H,12-15H2,1-4H3,(H,27,29)(H,28,34);5-11H,12-13H2,1-4H3,(H,25,27)(H,26,30);5-11H,12-13H2,1-4H3,(H,25,29);2-8H,9-10H2,1H3,(H,21,23)(H,22,27)(H,25,26);7-8H,4-5H2,1-3H3
• InChIKey: HHMIEYMVJCHILM-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 591.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.12
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide) (CID 158480716) is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide).

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

The canonical SMILES for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide) is CNCC(C)(C)CO.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.O=S=O.O=S=O.O=S=O.O=S=O.

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

The InChIKey is HHMIEYMVJCHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O4.C23H25ClN4O4.C23H24ClN3O4.C19H17ClN4O4.C6H15NO.4O2S/c1-25(2,15-32)14-30(4)21(33)13-31-22-17(7-10-20(27-3)29-22)11-19(24(31)35)23(34)28-12-16-5-8-18(26)9-6-16;1-23(2,3)32-19(29)13-28-20-15(7-10-18(25-4)27-20)11-17(22(28)31)21(30)26-12-14-5-8-16(24)9-6-14;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;1-21-15-7-4-12-8-14(19(28)24(10-16(25)26)17(12)23-15)18(27)22-9-11-2-5-13(20)6-3-11;1-6(2,5-8)4-7-3;4*1-3-2/h5-11,32H,12-15H2,1-4H3,(H,27,29)(H,28,34);5-11H,12-13H2,1-4H3,(H,25,27)(H,26,30);5-11H,12-13H2,1-4H3,(H,25,29);2-8H,9-10H2,1H3,(H,21,23)(H,22,27)(H,25,26);7-8H,4-5H2,1-3H3;;;;.

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

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide) has a molecular weight of 2173.12 g/mol, XLogP of 9.14, 29 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-(methylamino)-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-(methylamino)-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol;tetrakis(sulfur dioxide) is sourced from PubChem (CID 158480716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).