tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate

C108H116Cl3FN24O27 — CID 158794806

About tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 158794806) has the molecular formula C108H116Cl3FN24O27 and a molecular weight of 2307.61 g/mol. Its IUPAC name is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 158794806
• Molecular Formula: C108H116Cl3FN24O27
• Molecular Weight: 2307.61 g/mol
• Exact Mass: 2304.75
• IUPAC Name: tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCNc1c([N+](=O)[O-])cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)OC(C)(C)C.CCNc1c([N+](=O)[O-])cnc2c1cc(C(=O)OCC)c(=O)n2CC(=O)OC(C)(C)C.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)OC(C)(C)C)c1=O.CCn1c(C)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.CCn1c(C)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)O)c21
• InChI: InChI=1S/C26H26ClFN6O3.C24H26ClN5O6.C22H20ClN5O4.C19H24N4O7.C17H20N4O7/c1-4-33-15(2)31-20-11-29-23-18(22(20)33)9-19(24(36)30-10-16-5-7-17(27)8-6-16)25(37)34(23)12-21(35)32-13-26(3,28)14-32;1-5-26-20-16-10-17(22(32)28-11-14-6-8-15(25)9-7-14)23(33)29(13-19(31)36-24(2,3)4)21(16)27-12-18(20)30(34)35;1-3-27-12(2)26-17-10-24-20-15(19(17)27)8-16(22(32)28(20)11-18(29)30)21(31)25-9-13-4-6-14(23)7-5-13;1-6-20-15-11-8-12(18(26)29-7-2)17(25)22(10-14(24)30-19(3,4)5)16(11)21-9-13(15)23(27)28;1-5-27-16(24)10-6-9-13(18)11(21(25)26)7-19-14(9)20(15(10)23)8-12(22)28-17(2,3)4/h5-9,11H,4,10,12-14H2,1-3H3,(H,30,36);6-10,12H,5,11,13H2,1-4H3,(H,26,27)(H,28,32);4-8,10H,3,9,11H2,1-2H3,(H,25,31)(H,29,30);8-9H,6-7,10H2,1-5H3,(H,20,21);6-7H,5,8H2,1-4H3,(H2,18,19)
• InChIKey: ISSSOYULDWQEHA-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 666.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.61
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate (CID 158794806) is tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate is CCNc1c([N+](=O)[O-])cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)OC(C)(C)C.CCNc1c([N+](=O)[O-])cnc2c1cc(C(=O)OCC)c(=O)n2CC(=O)OC(C)(C)C.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)OC(C)(C)C)c1=O.CCn1c(C)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.CCn1c(C)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)O)c21.

What is the InChIKey of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is ISSSOYULDWQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O3.C24H26ClN5O6.C22H20ClN5O4.C19H24N4O7.C17H20N4O7/c1-4-33-15(2)31-20-11-29-23-18(22(20)33)9-19(24(36)30-10-16-5-7-17(27)8-6-16)25(37)34(23)12-21(35)32-13-26(3,28)14-32;1-5-26-20-16-10-17(22(32)28-11-14-6-8-15(25)9-7-14)23(33)29(13-19(31)36-24(2,3)4)21(16)27-12-18(20)30(34)35;1-3-27-12(2)26-17-10-24-20-15(19(17)27)8-16(22(32)28(20)11-18(29)30)21(31)25-9-13-4-6-14(23)7-5-13;1-6-20-15-11-8-12(18(26)29-7-2)17(25)22(10-14(24)30-19(3,4)5)16(11)21-9-13(15)23(27)28;1-5-27-16(24)10-6-9-13(18)11(21(25)26)7-19-14(9)20(15(10)23)8-12(22)28-17(2,3)4/h5-9,11H,4,10,12-14H2,1-3H3,(H,30,36);6-10,12H,5,11,13H2,1-4H3,(H,26,27)(H,28,32);4-8,10H,3,9,11H2,1-2H3,(H,25,31)(H,29,30);8-9H,6-7,10H2,1-5H3,(H,20,21);6-7H,5,8H2,1-4H3,(H2,18,19).

What are the key properties of tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate?

tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 2307.61 g/mol, XLogP of 13.29, 32 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[3-[(4-chlorophenyl)methylcarbamoyl]-5-(ethylamino)-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-1-ethyl-2-methyl-7-oxoimidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-ethyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-(ethylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 158794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).