5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C87H92Cl2N22O29 — CID 158230699

About 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate

5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 158230699) has the molecular formula C87H92Cl2N22O29 and a molecular weight of 1980.72 g/mol. Its IUPAC name is 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate
• PubChem CID: 158230699
• Molecular Formula: C87H92Cl2N22O29
• Molecular Weight: 1980.72 g/mol
• Exact Mass: 1978.58
• IUPAC Name: 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(N)cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c([N+](=O)[O-])cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)O)cc2c(N)c([N+](=O)[O-])cnc21.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2[nH]c1=O.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)OC(C)(C)C)c1=O
• InChI: InChI=1S/C22H22ClN5O6.C22H24ClN5O4.C17H20N4O7.C15H16N4O7.C11H10N4O5/c1-22(2,3)34-17(29)11-27-19-14(18(24)16(10-25-19)28(32)33)8-15(21(27)31)20(30)26-9-12-4-6-13(23)7-5-12;1-22(2,3)32-17(29)11-28-19-14(18(25)16(24)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(23)7-5-12;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;1-15(2,3)26-10(20)6-18-12-7(4-8(13(18)21)14(22)23)11(16)9(5-17-12)19(24)25;1-2-20-11(17)6-3-5-8(12)7(15(18)19)4-13-9(5)14-10(6)16/h4-8,10H,9,11H2,1-3H3,(H2,24,25)(H,26,30);4-8,10H,9,11,24H2,1-3H3,(H2,25,26)(H,27,30);6-7H,5,8H2,1-4H3,(H2,18,19);4-5H,6H2,1-3H3,(H2,16,17)(H,22,23);3-4H,2H2,1H3,(H3,12,13,14,16)
• InChIKey: GEIQIQHYEFADOY-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 767.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.72
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	10
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 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The IUPAC name of 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 158230699) is 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(N)cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c([N+](=O)[O-])cnc21.CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)O)cc2c(N)c([N+](=O)[O-])cnc21.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2[nH]c1=O.CCOC(=O)c1cc2c(N)c([N+](=O)[O-])cnc2n(CC(=O)OC(C)(C)C)c1=O.

What is the InChIKey of 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

The InChIKey is GEIQIQHYEFADOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O6.C22H24ClN5O4.C17H20N4O7.C15H16N4O7.C11H10N4O5/c1-22(2,3)34-17(29)11-27-19-14(18(24)16(10-25-19)28(32)33)8-15(21(27)31)20(30)26-9-12-4-6-13(23)7-5-12;1-22(2,3)32-17(29)11-28-19-14(18(25)16(24)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(23)7-5-12;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;1-15(2,3)26-10(20)6-18-12-7(4-8(13(18)21)14(22)23)11(16)9(5-17-12)19(24)25;1-2-20-11(17)6-3-5-8(12)7(15(18)19)4-13-9(5)14-10(6)16/h4-8,10H,9,11H2,1-3H3,(H2,24,25)(H,26,30);4-8,10H,9,11,24H2,1-3H3,(H2,25,26)(H,27,30);6-7H,5,8H2,1-4H3,(H2,18,19);4-5H,6H2,1-3H3,(H2,16,17)(H,22,23);3-4H,2H2,1H3,(H3,12,13,14,16).

What are the key properties of 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate?

5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 1980.72 g/mol, XLogP of 8.22, 23 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylic acid;tert-butyl 2-[5-amino-3-[(4-chlorophenyl)methylcarbamoyl]-6-nitro-2-oxo-1,8-naphthyridin-1-yl]acetate;tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-nitro-2-oxo-1,8-naphthyridine-3-carboxylate;ethyl 5-amino-6-nitro-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 158230699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).