2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)

C92H95Cl4N17O21S2 — CID 157398674

About 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)

2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide) (PubChem CID 157398674) has the molecular formula C92H95Cl4N17O21S2 and a molecular weight of 1980.82 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide).

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)
• PubChem CID: 157398674
• Molecular Formula: C92H95Cl4N17O21S2
• Molecular Weight: 1980.82 g/mol
• Exact Mass: 1977.51
• IUPAC Name: 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)
• SMILES: CC1(O)CNC1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.O=S=O.O=S=O
• InChI: InChI=1S/C23H24ClN5O4.2C23H23ClN4O4.C19H16ClN3O4.C4H9NO.2O2S/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;2*1-14-3-6-16-9-18(21(30)25-10-15-4-7-17(24)8-5-15)22(31)28(20(16)26-14)11-19(29)27-12-23(2,32)13-27;1-11-2-5-13-8-15(19(27)23(10-16(24)25)17(13)22-11)18(26)21-9-12-3-6-14(20)7-4-12;1-4(6)2-5-3-4;2*1-3-2/h3-9,33H,10-13H2,1-2H3,(H,25,27)(H,26,31);2*3-9,32H,10-13H2,1-2H3,(H,25,30);2-8H,9-10H2,1H3,(H,21,26)(H,24,25);5-6H,2-3H2,1H3
• InChIKey: BMWRCRCIXFQAAL-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 527.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.82
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)?

The IUPAC name of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide) (CID 157398674) is 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide).

What is the SMILES notation for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)?

The canonical SMILES for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide) is CC1(O)CNC1.CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.O=S=O.O=S=O.

What is the InChIKey of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)?

The InChIKey is BMWRCRCIXFQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4.2C23H23ClN4O4.C19H16ClN3O4.C4H9NO.2O2S/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;2*1-14-3-6-16-9-18(21(30)25-10-15-4-7-17(24)8-5-15)22(31)28(20(16)26-14)11-19(29)27-12-23(2,32)13-27;1-11-2-5-13-8-15(19(27)23(10-16(24)25)17(13)22-11)18(26)21-9-12-3-6-14(20)7-4-12;1-4(6)2-5-3-4;2*1-3-2/h3-9,33H,10-13H2,1-2H3,(H,25,27)(H,26,31);2*3-9,32H,10-13H2,1-2H3,(H,25,30);2-8H,9-10H2,1H3,(H,21,26)(H,24,25);5-6H,2-3H2,1H3;;.

What are the key properties of 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide)?

2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide) has a molecular weight of 1980.82 g/mol, XLogP of 5.75, 21 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-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;bis(N-[(4-chlorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide);3-methylazetidin-3-ol;bis(sulfur dioxide) is sourced from PubChem (CID 157398674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).