6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C14H15ClN4O — CID 135621702

About 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135621702) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
• PubChem CID: 135621702
• Molecular Formula: C14H15ClN4O
• Molecular Weight: 290.75 g/mol
• Exact Mass: 290.09
• IUPAC Name: 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
• SMILES: O=C1CN2Cc3c(ccc(N4CCCC4)c3Cl)N=C2N1
• InChI: InChI=1S/C14H15ClN4O/c15-13-9-7-19-8-12(20)17-14(19)16-10(9)3-4-11(13)18-5-1-2-6-18/h3-4H,1-2,5-8H2,(H,16,17,20)
• InChIKey: BYJCMMWJPPQCJN-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 47.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.75
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?

The IUPAC name of 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135621702) is 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

What is the SMILES notation for 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?

The canonical SMILES for 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(ccc(N4CCCC4)c3Cl)N=C2N1.

What is the InChIKey of 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?

The InChIKey is BYJCMMWJPPQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-13-9-7-19-8-12(20)17-14(19)16-10(9)3-4-11(13)18-5-1-2-6-18/h3-4H,1-2,5-8H2,(H,16,17,20).

What are the key properties of 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?

6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 290.75 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135621702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).