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

C30H39N7O4 — CID 135898493

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

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 135898493) has the molecular formula C30H39N7O4 and a molecular weight of 561.69 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-(2-pyrrolidin-1-ylethyl)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-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
• PubChem CID: 135898493
• Molecular Formula: C30H39N7O4
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.31
• IUPAC Name: N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
• SMILES: COc1c(OCCCN2CCOCC2)ccc2c3n(/c(=N/C(=O)c4ccc(CCN5CCCC5)nc4)nc12)CCN3
• InChI: InChI=1S/C30H39N7O4/c1-39-27-25(41-18-4-13-36-16-19-40-20-17-36)8-7-24-26(27)33-30(37-15-10-31-28(24)37)34-29(38)22-5-6-23(32-21-22)9-14-35-11-2-3-12-35/h5-8,21,31H,2-4,9-20H2,1H3/b34-30+
• InChIKey: MVWWTFRPFIEUTJ-VBMGMRCRSA-N
• XLogP: 2.35
• TPSA: 106.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	2.35
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]-6-(2-pyrrolidin-1-ylethyl)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-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 135898493) is N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(2-pyrrolidin-1-ylethyl)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-(2-pyrrolidin-1-ylethyl)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-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is COc1c(OCCCN2CCOCC2)ccc2c3n(/c(=N/C(=O)c4ccc(CCN5CCCC5)nc4)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]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?

The InChIKey is MVWWTFRPFIEUTJ-VBMGMRCRSA-N. The full InChI is InChI=1S/C30H39N7O4/c1-39-27-25(41-18-4-13-36-16-19-40-20-17-36)8-7-24-26(27)33-30(37-15-10-31-28(24)37)34-29(38)22-5-6-23(32-21-22)9-14-35-11-2-3-12-35/h5-8,21,31H,2-4,9-20H2,1H3/b34-30+.

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-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?

N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 561.69 g/mol, XLogP of 2.35, 10 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]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135898493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).