3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline

C141H196ClF3N14O6 — CID 158373348

About 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline

3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 158373348) has the molecular formula C141H196ClF3N14O6 and a molecular weight of 2275.66 g/mol. Its IUPAC name is 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

• Compound Name: 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline
• PubChem CID: 158373348
• Molecular Formula: C141H196ClF3N14O6
• Molecular Weight: 2275.66 g/mol
• Exact Mass: 2273.51
• IUPAC Name: 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline
• SMILES: CC(C)(C)c1cnc2c(C(C)(C)C)cncc2c1Cl.CCOc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.CN(C)c1c(C(C)(C)C)cnc2c(C(C)(C)C)cncc12.COc1c(C(C)(C)C)c(C(F)(F)F)nc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)ccnc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cncc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)nccc12
• InChI: InChI=1S/C19H24F3NO.C19H27NO.C18H27N3.C18H25NO.3C17H24N2O.C16H21ClN2/c1-17(2,3)12-10-8-9-11-14(12)23-16(19(20,21)22)13(15(11)24-7)18(4,5)6;1-8-21-17-13-10-9-11-14(18(2,3)4)16(13)20-12-15(17)19(5,6)7;1-17(2,3)13-10-19-9-12-15(13)20-11-14(18(4,5)6)16(12)21(7)8;1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6;1-16(2,3)12-9-18-8-11-14(12)19-10-13(15(11)20-7)17(4,5)6;1-16(2,3)11-8-9-18-14-13(11)19-10-12(15(14)20-7)17(4,5)6;1-16(2,3)12-10-19-13-11(14(12)20-7)8-9-18-15(13)17(4,5)6;1-15(2,3)11-9-19-14-10(13(11)17)7-18-8-12(14)16(4,5)6/h8-10H,1-7H3;9-12H,8H2,1-7H3;9-11H,1-8H3;8-11H,1-7H3;3*8-10H,1-7H3;7-9H,1-6H3
• InChIKey: GUWUMDFVBLQSEK-UHFFFAOYSA-N
• XLogP: 37.79
• TPSA: 226.19 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2275.66
LogP ≤ 5	37.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline?

The IUPAC name of 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline (CID 158373348) is 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline.

What is the SMILES notation for 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline?

The canonical SMILES for 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline is CC(C)(C)c1cnc2c(C(C)(C)C)cncc2c1Cl.CCOc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.CN(C)c1c(C(C)(C)C)cnc2c(C(C)(C)C)cncc12.COc1c(C(C)(C)C)c(C(F)(F)F)nc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)ccnc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cncc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)nccc12.

What is the InChIKey of 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline?

The InChIKey is GUWUMDFVBLQSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO.C19H27NO.C18H27N3.C18H25NO.3C17H24N2O.C16H21ClN2/c1-17(2,3)12-10-8-9-11-14(12)23-16(19(20,21)22)13(15(11)24-7)18(4,5)6;1-8-21-17-13-10-9-11-14(18(2,3)4)16(13)20-12-15(17)19(5,6)7;1-17(2,3)13-10-19-9-12-15(13)20-11-14(18(4,5)6)16(12)21(7)8;1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6;1-16(2,3)12-9-18-8-11-14(12)19-10-13(15(11)20-7)17(4,5)6;1-16(2,3)11-8-9-18-14-13(11)19-10-12(15(14)20-7)17(4,5)6;1-16(2,3)12-10-19-13-11(14(12)20-7)8-9-18-15(13)17(4,5)6;1-15(2,3)11-9-19-14-10(13(11)17)7-18-8-12(14)16(4,5)6/h8-10H,1-7H3;9-12H,8H2,1-7H3;9-11H,1-8H3;8-11H,1-7H3;3*8-10H,1-7H3;7-9H,1-6H3.

What are the key properties of 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline?

3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 2275.66 g/mol, XLogP of 37.79, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-ditert-butyl-4-chloro-1,6-naphthyridine;3,8-ditert-butyl-N,N-dimethyl-1,6-naphthyridin-4-amine;3,8-ditert-butyl-4-ethoxyquinoline;3,8-ditert-butyl-4-methoxy-1,5-naphthyridine;3,8-ditert-butyl-4-methoxy-1,6-naphthyridine;3,8-ditert-butyl-4-methoxy-1,7-naphthyridine;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 158373348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).