N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide

C31H37N7O — CID 53321514

About N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide

N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide (PubChem CID 53321514) has the molecular formula C31H37N7O and a molecular weight of 523.69 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
• PubChem CID: 53321514
• Molecular Formula: C31H37N7O
• Molecular Weight: 523.69 g/mol
• Exact Mass: 523.31
• IUPAC Name: N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
• SMILES: CC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
• InChI: InChI=1S/C31H37N7O/c1-23(39)36(20-10-18-33-31-25-12-3-5-14-27(25)35-29-16-9-22-38(29)31)19-7-6-17-32-30-24-11-2-4-13-26(24)34-28-15-8-21-37(28)30/h2-5,11-14H,6-10,15-22H2,1H3/b32-30-,33-31-
• InChIKey: WQKHWGNTOMYNEL-UOALMSBLSA-N
• XLogP: 3.80
• TPSA: 80.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.69
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?

The IUPAC name of N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide (CID 53321514) is N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?

The canonical SMILES for N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide is CC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2.

What is the InChIKey of N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?

The InChIKey is WQKHWGNTOMYNEL-UOALMSBLSA-N. The full InChI is InChI=1S/C31H37N7O/c1-23(39)36(20-10-18-33-31-25-12-3-5-14-27(25)35-29-16-9-22-38(29)31)19-7-6-17-32-30-24-11-2-4-13-26(24)34-28-15-8-21-37(28)30/h2-5,11-14H,6-10,15-22H2,1H3/b32-30-,33-31-.

What are the key properties of N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?

N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide has a molecular weight of 523.69 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)butyl]-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide is sourced from PubChem (CID 53321514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).