tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate

C116H139Cl6N11O21 — CID 162002671

About tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate

tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate (PubChem CID 162002671) has the molecular formula C116H139Cl6N11O21 and a molecular weight of 2236.16 g/mol. Its IUPAC name is tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate
• PubChem CID: 162002671
• Molecular Formula: C116H139Cl6N11O21
• Molecular Weight: 2236.16 g/mol
• Exact Mass: 2231.83
• IUPAC Name: tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate
• SMILES: CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)CO)nc21.CCOC(=O)C(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)(C)c2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C34H39Cl2N3O6.C29H31Cl2N3O4.C19H28N2O4.C17H15Cl2NO4.C17H26N2O3/c1-33(2,3)45-32(42)39-18-8-9-22-14-17-27(38-29(22)39)34(4,5)20-44-23-15-12-21(13-16-23)19-26(31(41)43-6)37-30(40)28-24(35)10-7-11-25(28)36;1-29(2,24-14-11-19-6-5-15-32-26(19)34-24)17-38-20-12-9-18(10-13-20)16-23(28(36)37-3)33-27(35)25-21(30)7-4-8-22(25)31;1-7-24-16(22)19(5,6)14-11-10-13-9-8-12-21(15(13)20-14)17(23)25-18(2,3)4;1-24-17(23)14(9-10-5-7-11(21)8-6-10)20-16(22)15-12(18)3-2-4-13(15)19;1-16(2,3)22-15(21)19-10-6-7-12-8-9-13(18-14(12)19)17(4,5)11-20/h7,10-17,26H,8-9,18-20H2,1-6H3,(H,37,40);4,7-14,23H,5-6,15-17H2,1-3H3,(H,32,34)(H,33,35);10-11H,7-9,12H2,1-6H3;2-8,14,21H,9H2,1H3,(H,20,22);8-9,20H,6-7,10-11H2,1-5H3/t26-;23-;;14-;/m00.0./s1
• InChIKey: YSKOBWASNPGDMX-KPACCPACSA-N
• XLogP: 22.43
• TPSA: 403.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2236.16
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate?

The IUPAC name of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate (CID 162002671) is tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate.

What is the SMILES notation for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate?

The canonical SMILES for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate is CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)CO)nc21.CCOC(=O)C(C)(C)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)(C)c2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.COC(=O)[C@H](Cc1ccc(OCC(C)(C)c2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl.

What is the InChIKey of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate?

The InChIKey is YSKOBWASNPGDMX-KPACCPACSA-N. The full InChI is InChI=1S/C34H39Cl2N3O6.C29H31Cl2N3O4.C19H28N2O4.C17H15Cl2NO4.C17H26N2O3/c1-33(2,3)45-32(42)39-18-8-9-22-14-17-27(38-29(22)39)34(4,5)20-44-23-15-12-21(13-16-23)19-26(31(41)43-6)37-30(40)28-24(35)10-7-11-25(28)36;1-29(2,24-14-11-19-6-5-15-32-26(19)34-24)17-38-20-12-9-18(10-13-20)16-23(28(36)37-3)33-27(35)25-21(30)7-4-8-22(25)31;1-7-24-16(22)19(5,6)14-11-10-13-9-8-12-21(15(13)20-14)17(23)25-18(2,3)4;1-24-17(23)14(9-10-5-7-11(21)8-6-10)20-16(22)15-12(18)3-2-4-13(15)19;1-16(2,3)22-15(21)19-10-6-7-12-8-9-13(18-14(12)19)17(4,5)11-20/h7,10-17,26H,8-9,18-20H2,1-6H3,(H,37,40);4,7-14,23H,5-6,15-17H2,1-3H3,(H,32,34)(H,33,35);10-11H,7-9,12H2,1-6H3;2-8,14,21H,9H2,1H3,(H,20,22);8-9,20H,6-7,10-11H2,1-5H3/t26-;23-;;14-;/m00.0./s1.

What are the key properties of tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate?

tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate has a molecular weight of 2236.16 g/mol, XLogP of 22.43, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[1-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenoxy]-2-methylpropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate is sourced from PubChem (CID 162002671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).