4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline

C35H35N5 — CID 146261753

About 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline

4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline (PubChem CID 146261753) has the molecular formula C35H35N5 and a molecular weight of 525.70 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline.

Molecular Properties

• Compound Name: 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
• PubChem CID: 146261753
• Molecular Formula: C35H35N5
• Molecular Weight: 525.70 g/mol
• Exact Mass: 525.29
• IUPAC Name: 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
• SMILES: C=CC1C(CCc2ccccc2N2c3ncccc3N(c3ccccc3)C2C)c2ccccc2N2C=CN(C)C12
• InChI: InChI=1S/C35H35N5/c1-4-28-29(30-16-9-11-18-32(30)38-24-23-37(3)35(28)38)21-20-26-13-8-10-17-31(26)40-25(2)39(27-14-6-5-7-15-27)33-19-12-22-36-34(33)40/h4-19,22-25,28-29,35H,1,20-21H2,2-3H3
• InChIKey: UQLWMJSBWXNFCJ-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.70
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?

The IUPAC name of 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline (CID 146261753) is 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline.

What is the SMILES notation for 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?

The canonical SMILES for 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline is C=CC1C(CCc2ccccc2N2c3ncccc3N(c3ccccc3)C2C)c2ccccc2N2C=CN(C)C12.

What is the InChIKey of 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?

The InChIKey is UQLWMJSBWXNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5/c1-4-28-29(30-16-9-11-18-32(30)38-24-23-37(3)35(28)38)21-20-26-13-8-10-17-31(26)40-25(2)39(27-14-6-5-7-15-27)33-19-12-22-36-34(33)40/h4-19,22-25,28-29,35H,1,20-21H2,2-3H3.

What are the key properties of 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?

4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline has a molecular weight of 525.70 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline is sourced from PubChem (CID 146261753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).