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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide

C92H99Cl4N17O19S — CID 157069296

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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide (PubChem CID 157069296) has the molecular formula C92H99Cl4N17O19S and a molecular weight of 1920.78 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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide
• PubChem CID: 157069296
• Molecular Formula: C92H99Cl4N17O19S
• Molecular Weight: 1920.78 g/mol
• Exact Mass: 1917.58
• 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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide
• SMILES: CC1(O)CNC1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)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
• InChI: InChI=1S/C23H24ClN5O4.C23H25ClN4O4.C23H24ClN3O4.C19H17ClN4O4.C4H9NO.O2S/c1-23(33)12-28(13-23)19(30)11-29-20-15(5-8-18(25-2)27-20)9-17(22(29)32)21(31)26-10-14-3-6-16(24)7-4-14;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;1-4(6)2-5-3-4;1-3-2/h3-9,33H,10-13H2,1-2H3,(H,25,27)(H,26,31);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);5-6H,2-3H2,1H3
• InChIKey: ACFWAAJFXPXTFC-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 488.89 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.78
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide (CID 157069296) 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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide is CC1(O)CNC1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)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.

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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide?

The InChIKey is ACFWAAJFXPXTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4.C23H25ClN4O4.C23H24ClN3O4.C19H17ClN4O4.C4H9NO.O2S/c1-23(33)12-28(13-23)19(30)11-29-20-15(5-8-18(25-2)27-20)9-17(22(29)32)21(31)26-10-14-3-6-16(24)7-4-14;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;1-4(6)2-5-3-4;1-3-2/h3-9,33H,10-13H2,1-2H3,(H,25,27)(H,26,31);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);5-6H,2-3H2,1H3;.

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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide has a molecular weight of 1920.78 g/mol, XLogP of 9.38, 23 rotatable bonds, 11 hydrogen bond donors, and 30 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-3-methylazetidin-1-yl)-2-oxoethyl]-7-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;3-methylazetidin-3-ol;sulfur dioxide is sourced from PubChem (CID 157069296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).