2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline

C18H15N3O — CID 70649644

IUPAC2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline
SMILESc1coc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1
InChIInChI=1S/C18H15N3O/c1-2-5-15-13(4-1)7-8-14(20-15)9-10-18-19-12-16(21-18)17-6-3-11-22-17/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyCHQKMJLSNSVMPZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline

2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline (PubChem CID 70649644) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline
PubChem CID70649644
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline
SMILESc1coc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1
InChIInChI=1S/C18H15N3O/c1-2-5-15-13(4-1)7-8-14(20-15)9-10-18-19-12-16(21-18)17-6-3-11-22-17/h1-8,11-12H,9-10H2,(H,19,21)
InChIKeyCHQKMJLSNSVMPZ-UHFFFAOYSA-N
XLogP4.00
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline (CID 70649644) is 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline is c1coc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1.
What is the InChIKey of 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline?
The InChIKey is CHQKMJLSNSVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-5-15-13(4-1)7-8-14(20-15)9-10-18-19-12-16(21-18)17-6-3-11-22-17/h1-8,11-12H,9-10H2,(H,19,21).
What are the key properties of 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline?
2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline has a molecular weight of 289.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(furan-2-yl)-1H-imidazol-2-yl]ethyl]quinoline is sourced from PubChem (CID 70649644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).