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

C95H107Cl4N15O17 — CID 158862986

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

tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (PubChem CID 158862986) has the molecular formula C95H107Cl4N15O17 and a molecular weight of 1872.80 g/mol. Its IUPAC name is tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol.

Molecular Properties

• Compound Name: tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol
• PubChem CID: 158862986
• Molecular Formula: C95H107Cl4N15O17
• Molecular Weight: 1872.80 g/mol
• Exact Mass: 1869.67
• IUPAC Name: tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(N)nc21.CNCC(C)(C)CO.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1
• InChI: InChI=1S/C25H29ClN4O4.C23H24ClN3O4.C22H23ClN4O4.C19H16ClN3O4.C6H15NO/c1-16-5-8-18-11-20(23(33)27-12-17-6-9-19(26)10-7-17)24(34)30(22(18)28-16)13-21(32)29(4)14-25(2,3)15-31;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;1-22(2,3)31-18(28)12-27-19-14(6-9-17(24)26-19)10-16(21(27)30)20(29)25-11-13-4-7-15(23)8-5-13;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;1-6(2,5-8)4-7-3/h5-11,31H,12-15H2,1-4H3,(H,27,33);5-11H,12-13H2,1-4H3,(H,25,29);4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,29);2-8H,9-10H2,1H3,(H,21,26)(H,24,25);7-8H,4-5H2,1-3H3
• InChIKey: JAWMLGGQOBIMGY-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 444.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.80
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol (CID 158862986) is tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol.

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

The canonical SMILES for tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2ccc(N)nc21.CNCC(C)(C)CO.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N(C)CC(C)(C)CO)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2n1.Cc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)OC(C)(C)C)c2n1.

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

The InChIKey is JAWMLGGQOBIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4.C23H24ClN3O4.C22H23ClN4O4.C19H16ClN3O4.C6H15NO/c1-16-5-8-18-11-20(23(33)27-12-17-6-9-19(26)10-7-17)24(34)30(22(18)28-16)13-21(32)29(4)14-25(2,3)15-31;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;1-22(2,3)31-18(28)12-27-19-14(6-9-17(24)26-19)10-16(21(27)30)20(29)25-11-13-4-7-15(23)8-5-13;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;1-6(2,5-8)4-7-3/h5-11,31H,12-15H2,1-4H3,(H,27,33);5-11H,12-13H2,1-4H3,(H,25,29);4-10H,11-12H2,1-3H3,(H2,24,26)(H,25,29);2-8H,9-10H2,1H3,(H,21,26)(H,24,25);7-8H,4-5H2,1-3H3.

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

tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol has a molecular weight of 1872.80 g/mol, XLogP of 11.90, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[7-amino-3-[(4-chlorophenyl)methylcarbamoyl]-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-methyl-2-oxo-1,8-naphthyridin-1-yl]acetic acid;N-[(4-chlorophenyl)methyl]-1-[2-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-7-methyl-2-oxo-1,8-naphthyridine-3-carboxamide;2,2-dimethyl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 158862986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).