tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine

C78H106N12O9 — CID 162110188

About tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine

tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine (PubChem CID 162110188) has the molecular formula C78H106N12O9 and a molecular weight of 1355.78 g/mol. Its IUPAC name is tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine.

Molecular Properties

• Compound Name: tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine
• PubChem CID: 162110188
• Molecular Formula: C78H106N12O9
• Molecular Weight: 1355.78 g/mol
• Exact Mass: 1354.82
• IUPAC Name: tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine
• SMILES: CC1CCc2ccc(CCO)nc2N1C(=O)OC(C)(C)C.CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)C(C)CC2.Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)C(C)CC2.Cc1ccc2c(n1)NC(C)C=C2.Cc1ccc2c(n1)NC(C)CC2.Cc1ccc2cccnc2n1
• InChI: InChI=1S/C18H26N2O4.C16H24N2O3.C15H22N2O2.C10H14N2.C10H12N2.C9H8N2/c1-6-23-15(21)11-14-10-9-13-8-7-12(2)20(16(13)19-14)17(22)24-18(3,4)5;1-11-5-6-12-7-8-13(9-10-19)17-14(12)18(11)15(20)21-16(2,3)4;1-10-6-8-12-9-7-11(2)17(13(12)16-10)14(18)19-15(3,4)5;2*1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-7-4-5-8-3-2-6-10-9(8)11-7/h9-10,12H,6-8,11H2,1-5H3;7-8,11,19H,5-6,9-10H2,1-4H3;6,8,11H,7,9H2,1-5H3;3,5,8H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);2-6H,1H3
• InChIKey: ZGAYJFXCOKXDFE-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 249.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.78
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine?

The IUPAC name of tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine (CID 162110188) is tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine.

What is the SMILES notation for tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine?

The canonical SMILES for tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine is CC1CCc2ccc(CCO)nc2N1C(=O)OC(C)(C)C.CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)C(C)CC2.Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)C(C)CC2.Cc1ccc2c(n1)NC(C)C=C2.Cc1ccc2c(n1)NC(C)CC2.Cc1ccc2cccnc2n1.

What is the InChIKey of tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine?

The InChIKey is ZGAYJFXCOKXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4.C16H24N2O3.C15H22N2O2.C10H14N2.C10H12N2.C9H8N2/c1-6-23-15(21)11-14-10-9-13-8-7-12(2)20(16(13)19-14)17(22)24-18(3,4)5;1-11-5-6-12-7-8-13(9-10-19)17-14(12)18(11)15(20)21-16(2,3)4;1-10-6-8-12-9-7-11(2)17(13(12)16-10)14(18)19-15(3,4)5;2*1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-7-4-5-8-3-2-6-10-9(8)11-7/h9-10,12H,6-8,11H2,1-5H3;7-8,11,19H,5-6,9-10H2,1-4H3;6,8,11H,7,9H2,1-5H3;3,5,8H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);2-6H,1H3.

What are the key properties of tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine?

tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine has a molecular weight of 1355.78 g/mol, XLogP of 15.71, 5 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-ethoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;2,7-dimethyl-1,2-dihydro-1,8-naphthyridine;2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methyl-1,8-naphthyridine is sourced from PubChem (CID 162110188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).