2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline

C19H17N3O — CID 70648569

IUPAC2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline
SMILESCn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15/h2-9,12-13H,10-11H2,1H3
InChIKeyKVQBFWNDFXGJLA-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.01
Rot. Bonds4

About 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline

2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline (PubChem CID 70648569) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline
PubChem CID70648569
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline
SMILESCn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H17N3O/c1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15/h2-9,12-13H,10-11H2,1H3
InChIKeyKVQBFWNDFXGJLA-UHFFFAOYSA-N
XLogP4.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline (CID 70648569) is 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline is Cn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline?
The InChIKey is KVQBFWNDFXGJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline?
2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline has a molecular weight of 303.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline is sourced from PubChem (CID 70648569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).