N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

C39H41N5O5 — CID 59813649

About N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide

N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813649) has the molecular formula C39H41N5O5 and a molecular weight of 659.79 g/mol. Its IUPAC name is N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
• PubChem CID: 59813649
• Molecular Formula: C39H41N5O5
• Molecular Weight: 659.79 g/mol
• Exact Mass: 659.31
• IUPAC Name: N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
• SMILES: COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc6nc(C(C)(C)C)cn6c5)cccc4c3)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C39H41N5O5/c1-39(2,3)36-25-44-24-27(9-12-37(44)42-36)41-38(45)30-8-5-7-26-21-28(10-11-29(26)30)49-33-13-14-40-32-23-35(34(46-4)22-31(32)33)48-18-6-15-43-16-19-47-20-17-43/h5,7-14,21-25H,6,15-20H2,1-4H3,(H,41,45)
• InChIKey: BWQWDGCTTCWBCG-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 99.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.79
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?

The IUPAC name of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide (CID 59813649) is N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide.

What is the SMILES notation for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?

The canonical SMILES for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc6nc(C(C)(C)C)cn6c5)cccc4c3)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?

The InChIKey is BWQWDGCTTCWBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O5/c1-39(2,3)36-25-44-24-27(9-12-37(44)42-36)41-38(45)30-8-5-7-26-21-28(10-11-29(26)30)49-33-13-14-40-32-23-35(34(46-4)22-31(32)33)48-18-6-15-43-16-19-47-20-17-43/h5,7-14,21-25H,6,15-20H2,1-4H3,(H,41,45).

What are the key properties of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide?

N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 659.79 g/mol, XLogP of 7.49, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).