2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline

C32H32N2O2 — CID 88740757

About 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline

2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline (PubChem CID 88740757) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline.

Molecular Properties

• Compound Name: 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline
• PubChem CID: 88740757
• Molecular Formula: C32H32N2O2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.25
• IUPAC Name: 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline
• SMILES: CC1=CC(C)(C)Nc2ccc(OC3=CC4=CC=C(Oc5ccc6c(c5)C(C)=CC(C)(C)N6)C4=C3)cc21
• InChI: InChI=1S/C32H32N2O2/c1-19-17-31(3,4)33-28-10-8-22(14-25(19)28)35-24-13-21-7-12-30(27(21)16-24)36-23-9-11-29-26(15-23)20(2)18-32(5,6)34-29/h7-18,33-34H,1-6H3
• InChIKey: ZSJFDISBIJHGTR-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 42.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline?

The IUPAC name of 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline (CID 88740757) is 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline.

What is the SMILES notation for 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline?

The canonical SMILES for 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline is CC1=CC(C)(C)Nc2ccc(OC3=CC4=CC=C(Oc5ccc6c(c5)C(C)=CC(C)(C)N6)C4=C3)cc21.

What is the InChIKey of 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline?

The InChIKey is ZSJFDISBIJHGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-19-17-31(3,4)33-28-10-8-22(14-25(19)28)35-24-13-21-7-12-30(27(21)16-24)36-23-9-11-29-26(15-23)20(2)18-32(5,6)34-29/h7-18,33-34H,1-6H3.

What are the key properties of 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline?

2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline has a molecular weight of 476.62 g/mol, XLogP of 8.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,4-trimethyl-6-[4-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]pentalen-2-yl]oxy-1H-quinoline is sourced from PubChem (CID 88740757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).