4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline

C17H22N2 — CID 91058150

IUPAC4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
SMILESC=CC1(C)C2N(C)C=CN2c2ccccc2C1(C)C
InChIInChI=1S/C17H22N2/c1-6-17(4)15-18(5)11-12-19(15)14-10-8-7-9-13(14)16(17,2)3/h6-12,15H,1H2,2-5H3
InChIKeySNVLFAXTDLFWLN-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds1

About 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline

4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline (PubChem CID 91058150) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
PubChem CID91058150
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
SMILESC=CC1(C)C2N(C)C=CN2c2ccccc2C1(C)C
InChIInChI=1S/C17H22N2/c1-6-17(4)15-18(5)11-12-19(15)14-10-8-7-9-13(14)16(17,2)3/h6-12,15H,1H2,2-5H3
InChIKeySNVLFAXTDLFWLN-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The IUPAC name of 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline (CID 91058150) is 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline.
What is the SMILES notation for 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The canonical SMILES for 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline is C=CC1(C)C2N(C)C=CN2c2ccccc2C1(C)C.
What is the InChIKey of 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The InChIKey is SNVLFAXTDLFWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-6-17(4)15-18(5)11-12-19(15)14-10-8-7-9-13(14)16(17,2)3/h6-12,15H,1H2,2-5H3.
What are the key properties of 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline has a molecular weight of 254.38 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline is sourced from PubChem (CID 91058150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).