5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline

C125H146N16 — CID 167585846

About 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline

5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline (PubChem CID 167585846) has the molecular formula C125H146N16 and a molecular weight of 1872.65 g/mol. Its IUPAC name is 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline.

Molecular Properties

• Compound Name: 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
• PubChem CID: 167585846
• Molecular Formula: C125H146N16
• Molecular Weight: 1872.65 g/mol
• Exact Mass: 1871.19
• IUPAC Name: 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
• SMILES: CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2cccnc2c1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1nccc2ncccc12.Cc1ccc2c(C(C)(C)C)cccc2n1
• InChI: InChI=1S/C14H17N.3C13H15N.6C12H14N2/c1-10-8-9-11-12(14(2,3)4)6-5-7-13(11)15-10;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-12(2,3)11-9-5-4-7-13-10(9)6-8-14-11;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10/h5-9H,1-4H3;3*4-9H,1-3H3;6*4-8H,1-3H3
• InChIKey: HUFWDHPSYDVXDD-UHFFFAOYSA-N
• XLogP: 32.00
• TPSA: 206.24 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.65
LogP ≤ 5	32.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?

The IUPAC name of 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline (CID 167585846) is 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline.

What is the SMILES notation for 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?

The canonical SMILES for 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline is CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2cccnc2c1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1nccc2ncccc12.Cc1ccc2c(C(C)(C)C)cccc2n1.

What is the InChIKey of 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?

The InChIKey is HUFWDHPSYDVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.3C13H15N.6C12H14N2/c1-10-8-9-11-12(14(2,3)4)6-5-7-13(11)15-10;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-12(2,3)11-9-5-4-7-13-10(9)6-8-14-11;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10/h5-9H,1-4H3;3*4-9H,1-3H3;6*4-8H,1-3H3.

What are the key properties of 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?

5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline has a molecular weight of 1872.65 g/mol, XLogP of 32.00, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline is sourced from PubChem (CID 167585846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).