N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide

C35H39N5O5 — CID 59813849

About N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 59813849) has the molecular formula C35H39N5O5 and a molecular weight of 609.73 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide
• PubChem CID: 59813849
• Molecular Formula: C35H39N5O5
• Molecular Weight: 609.73 g/mol
• Exact Mass: 609.30
• IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide
• SMILES: COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)ncnc2cc1OCCCN1CCCCC1
• InChI: InChI=1S/C35H39N5O5/c1-35(2,3)31-21-32(39-45-31)38-33(41)26-11-8-10-23-18-24(12-13-25(23)26)44-34-27-19-29(42-4)30(20-28(27)36-22-37-34)43-17-9-16-40-14-6-5-7-15-40/h8,10-13,18-22H,5-7,9,14-17H2,1-4H3,(H,38,39,41)
• InChIKey: IGLWRDHENABHSM-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 111.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.73
LogP ≤ 5	7.38
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-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide?

The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide (CID 59813849) is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide.

What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide?

The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)ncnc2cc1OCCCN1CCCCC1.

What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide?

The InChIKey is IGLWRDHENABHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O5/c1-35(2,3)31-21-32(39-45-31)38-33(41)26-11-8-10-23-18-24(12-13-25(23)26)44-34-27-19-29(42-4)30(20-28(27)36-22-37-34)43-17-9-16-40-14-6-5-7-15-40/h8,10-13,18-22H,5-7,9,14-17H2,1-4H3,(H,38,39,41).

What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide?

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 609.73 g/mol, XLogP of 7.38, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).