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]propanamide

C32H39N7O — CID 53322841

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]propanamide

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]propanamide (PubChem CID 53322841) has the molecular formula C32H39N7O and a molecular weight of 537.71 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]propanamide.

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]propanamide
• PubChem CID: 53322841
• Molecular Formula: C32H39N7O
• Molecular Weight: 537.71 g/mol
• Exact Mass: 537.32
• 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]propanamide
• SMILES: CCC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
• InChI: InChI=1S/C32H39N7O/c1-2-30(40)37(21-11-19-34-32-25-13-4-6-15-27(25)36-29-17-10-23-39(29)32)20-8-7-18-33-31-24-12-3-5-14-26(24)35-28-16-9-22-38(28)31/h3-6,12-15H,2,7-11,16-23H2,1H3/b33-31-,34-32-
• InChIKey: LCONIOXHASXSIY-WANSBIPISA-N
• XLogP: 4.19
• TPSA: 80.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.71
LogP ≤ 5	4.19
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]propanamide?

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]propanamide (CID 53322841) 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]propanamide.

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]propanamide?

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]propanamide is CCC(=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]propanamide?

The InChIKey is LCONIOXHASXSIY-WANSBIPISA-N. The full InChI is InChI=1S/C32H39N7O/c1-2-30(40)37(21-11-19-34-32-25-13-4-6-15-27(25)36-29-17-10-23-39(29)32)20-8-7-18-33-31-24-12-3-5-14-26(24)35-28-16-9-22-38(28)31/h3-6,12-15H,2,7-11,16-23H2,1H3/b33-31-,34-32-.

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]propanamide?

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]propanamide has a molecular weight of 537.71 g/mol, XLogP of 4.19, 10 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]propanamide is sourced from PubChem (CID 53322841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).