N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide

C26H32N8O5 — CID 135938519

About N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 135938519) has the molecular formula C26H32N8O5 and a molecular weight of 536.59 g/mol. Its IUPAC name is N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide
• PubChem CID: 135938519
• Molecular Formula: C26H32N8O5
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.25
• IUPAC Name: N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide
• SMILES: CNC(=O)Nc1ccc(C(=O)/N=c2\nc3c(OC)c(OCCCN4CCOCC4)ccc3c3n2CCN3)cn1
• InChI: InChI=1S/C26H32N8O5/c1-27-26(36)30-20-7-4-17(16-29-20)24(35)32-25-31-21-18(23-28-8-10-34(23)25)5-6-19(22(21)37-2)39-13-3-9-33-11-14-38-15-12-33/h4-7,16,28H,3,8-15H2,1-2H3,(H2,27,29,30,36)/b32-25+
• InChIKey: GPQWKGPROOZUMZ-WGPBWIAQSA-N
• XLogP: 1.46
• TPSA: 144.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide?

The IUPAC name of N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide (CID 135938519) is N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide is CNC(=O)Nc1ccc(C(=O)/N=c2\nc3c(OC)c(OCCCN4CCOCC4)ccc3c3n2CCN3)cn1.

What is the InChIKey of N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide?

The InChIKey is GPQWKGPROOZUMZ-WGPBWIAQSA-N. The full InChI is InChI=1S/C26H32N8O5/c1-27-26(36)30-20-7-4-17(16-29-20)24(35)32-25-31-21-18(23-28-8-10-34(23)25)5-6-19(22(21)37-2)39-13-3-9-33-11-14-38-15-12-33/h4-7,16,28H,3,8-15H2,1-2H3,(H2,27,29,30,36)/b32-25+.

What are the key properties of N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide?

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 135938519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).