4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline

C20H28N2 — CID 123192785

IUPAC4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline
SMILESC=C(C)C1(CC)c2ccccc2N2C=CN(C)C2C1(C)CC
InChIInChI=1S/C20H28N2/c1-7-19(5)18-21(6)13-14-22(18)17-12-10-9-11-16(17)20(19,8-2)15(3)4/h9-14,18H,3,7-8H2,1-2,4-6H3
InChIKeyNEELQVMRTYRWDD-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.89
Rot. Bonds3

About 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline

4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline (PubChem CID 123192785) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline
PubChem CID123192785
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline
SMILESC=C(C)C1(CC)c2ccccc2N2C=CN(C)C2C1(C)CC
InChIInChI=1S/C20H28N2/c1-7-19(5)18-21(6)13-14-22(18)17-12-10-9-11-16(17)20(19,8-2)15(3)4/h9-14,18H,3,7-8H2,1-2,4-6H3
InChIKeyNEELQVMRTYRWDD-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.89
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 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline?
The IUPAC name of 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline (CID 123192785) is 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline.
What is the SMILES notation for 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline?
The canonical SMILES for 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline is C=C(C)C1(CC)c2ccccc2N2C=CN(C)C2C1(C)CC.
What is the InChIKey of 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline?
The InChIKey is NEELQVMRTYRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-7-19(5)18-21(6)13-14-22(18)17-12-10-9-11-16(17)20(19,8-2)15(3)4/h9-14,18H,3,7-8H2,1-2,4-6H3.
What are the key properties of 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline?
4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline has a molecular weight of 296.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline is sourced from PubChem (CID 123192785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).