4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine

C33H34Cl2N4O3 — CID 175950333

About 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine

4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine (PubChem CID 175950333) has the molecular formula C33H34Cl2N4O3 and a molecular weight of 605.57 g/mol. Its IUPAC name is 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine
• PubChem CID: 175950333
• Molecular Formula: C33H34Cl2N4O3
• Molecular Weight: 605.57 g/mol
• Exact Mass: 604.20
• IUPAC Name: 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine
• SMILES: Clc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(c3ccc4cccc(N5CCOCC5)c4n3)(CC1)CC2
• InChI: InChI=1S/C33H34Cl2N4O3/c34-24-18-36-19-25(35)28(24)30-23(31(42-38-30)22-4-5-22)20-41-33-11-8-32(9-12-33,10-13-33)27-7-6-21-2-1-3-26(29(21)37-27)39-14-16-40-17-15-39/h1-3,6-7,18-19,22H,4-5,8-17,20H2
• InChIKey: BIVDMZHJCPLPNR-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 73.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.57
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine?

The IUPAC name of 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine (CID 175950333) is 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine.

What is the SMILES notation for 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine?

The canonical SMILES for 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine is Clc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(c3ccc4cccc(N5CCOCC5)c4n3)(CC1)CC2.

What is the InChIKey of 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine?

The InChIKey is BIVDMZHJCPLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2N4O3/c34-24-18-36-19-25(35)28(24)30-23(31(42-38-30)22-4-5-22)20-41-33-11-8-32(9-12-33,10-13-33)27-7-6-21-2-1-3-26(29(21)37-27)39-14-16-40-17-15-39/h1-3,6-7,18-19,22H,4-5,8-17,20H2.

What are the key properties of 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine?

4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine has a molecular weight of 605.57 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]quinolin-8-yl]morpholine is sourced from PubChem (CID 175950333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).