5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline

C37H44N4O — CID 168844653

About 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline

5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline (PubChem CID 168844653) has the molecular formula C37H44N4O and a molecular weight of 560.79 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
• PubChem CID: 168844653
• Molecular Formula: C37H44N4O
• Molecular Weight: 560.79 g/mol
• Exact Mass: 560.35
• IUPAC Name: 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline
• SMILES: Cc1ccnc(N2CCCc3ccc(Oc4cc5c(c(C(C)(C)C)c4)CCCN5c4cc(C(C)(C)C)ccn4)cc32)c1
• InChI: InChI=1S/C37H44N4O/c1-25-14-16-38-34(20-25)40-18-8-10-26-12-13-28(23-32(26)40)42-29-22-31(37(5,6)7)30-11-9-19-41(33(30)24-29)35-21-27(15-17-39-35)36(2,3)4/h12-17,20-24H,8-11,18-19H2,1-7H3
• InChIKey: SBTKCNPTHPJSDR-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.79
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?

The IUPAC name of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline (CID 168844653) is 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline is Cc1ccnc(N2CCCc3ccc(Oc4cc5c(c(C(C)(C)C)c4)CCCN5c4cc(C(C)(C)C)ccn4)cc32)c1.

What is the InChIKey of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?

The InChIKey is SBTKCNPTHPJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O/c1-25-14-16-38-34(20-25)40-18-8-10-26-12-13-28(23-32(26)40)42-29-22-31(37(5,6)7)30-11-9-19-41(33(30)24-29)35-21-27(15-17-39-35)36(2,3)4/h12-17,20-24H,8-11,18-19H2,1-7H3.

What are the key properties of 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline?

5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline has a molecular weight of 560.79 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-(4-tert-butyl-2-pyridinyl)-7-[[1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 168844653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).