4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine

C44H49N5O2 — CID 71449887

About 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine

4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine (PubChem CID 71449887) has the molecular formula C44H49N5O2 and a molecular weight of 679.91 g/mol. Its IUPAC name is 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine
• PubChem CID: 71449887
• Molecular Formula: C44H49N5O2
• Molecular Weight: 679.91 g/mol
• Exact Mass: 679.39
• IUPAC Name: 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine
• SMILES: CCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1
• InChI: InChI=1S/C44H49N5O2/c1-6-19-51-44-37(32-24-34(28(2)3)33-13-14-42(45-40(33)26-32)48-15-9-10-16-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-11-7-8-12-39(30)46-43(36)49-17-20-50-21-18-49/h7-8,11-14,22-29H,6,9-10,15-21H2,1-5H3
• InChIKey: RTUMWGVDIOPGIM-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.91
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?

The IUPAC name of 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine (CID 71449887) is 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine.

What is the SMILES notation for 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?

The canonical SMILES for 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine is CCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCCC3)nc2c1.

What is the InChIKey of 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?

The InChIKey is RTUMWGVDIOPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N5O2/c1-6-19-51-44-37(32-24-34(28(2)3)33-13-14-42(45-40(33)26-32)48-15-9-10-16-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-11-7-8-12-39(30)46-43(36)49-17-20-50-21-18-49/h7-8,11-14,22-29H,6,9-10,15-21H2,1-5H3.

What are the key properties of 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?

4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine has a molecular weight of 679.91 g/mol, XLogP of 10.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-propan-2-yl-3-(5-propan-2-yl-2-pyrrolidin-1-ylquinolin-7-yl)-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 71449887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).