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

C23H27N7O4 — CID 135871073

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

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide (PubChem CID 135871073) has the molecular formula C23H27N7O4 and a molecular weight of 465.51 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]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide
• PubChem CID: 135871073
• Molecular Formula: C23H27N7O4
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.21
• IUPAC Name: N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide
• SMILES: COc1c(OCCCN2CCOCC2)ccc2c3n(/c(=N/C(=O)c4cnccn4)nc12)CCN3
• InChI: InChI=1S/C23H27N7O4/c1-32-20-18(34-12-2-8-29-10-13-33-14-11-29)4-3-16-19(20)27-23(30-9-7-26-21(16)30)28-22(31)17-15-24-5-6-25-17/h3-6,15,26H,2,7-14H2,1H3/b28-23+
• InChIKey: DXVQMRVHFYDXMP-WEMUOSSPSA-N
• XLogP: 1.10
• TPSA: 115.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
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]pyrazine-2-carboxamide?

The IUPAC name of N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide (CID 135871073) is N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-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]pyrazine-2-carboxamide?

The canonical SMILES for N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide is COc1c(OCCCN2CCOCC2)ccc2c3n(/c(=N/C(=O)c4cnccn4)nc12)CCN3.

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

The InChIKey is DXVQMRVHFYDXMP-WEMUOSSPSA-N. The full InChI is InChI=1S/C23H27N7O4/c1-32-20-18(34-12-2-8-29-10-13-33-14-11-29)4-3-16-19(20)27-23(30-9-7-26-21(16)30)28-22(31)17-15-24-5-6-25-17/h3-6,15,26H,2,7-14H2,1H3/b28-23+.

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]pyrazine-2-carboxamide?

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 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]pyrazine-2-carboxamide is sourced from PubChem (CID 135871073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).