(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone

C24H24N2O2 — CID 170454105

IUPAC(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone
SMILESO=C(/C=C1\C=CN(CCCCCO)c2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C24H24N2O2/c27-17-7-1-6-14-25-15-12-20(21-9-3-5-11-23(21)25)18-24(28)26-16-13-19-8-2-4-10-22(19)26/h2-5,8-13,15-16,18,27H,1,6-7,14,17H2/b20-18+
InChIKeyNKVBBNBZWTWJFO-CZIZESTLSA-N
MW372.47 g/mol
LogP4.86
Rot. Bonds6

About (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone

(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone (PubChem CID 170454105) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone.

Molecular Properties

Compound Name(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone
PubChem CID170454105
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone
SMILESO=C(/C=C1\C=CN(CCCCCO)c2ccccc21)n1ccc2ccccc21
InChIInChI=1S/C24H24N2O2/c27-17-7-1-6-14-25-15-12-20(21-9-3-5-11-23(21)25)18-24(28)26-16-13-19-8-2-4-10-22(19)26/h2-5,8-13,15-16,18,27H,1,6-7,14,17H2/b20-18+
InChIKeyNKVBBNBZWTWJFO-CZIZESTLSA-N
XLogP4.86
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone?
The IUPAC name of (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone (CID 170454105) is (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone.
What is the SMILES notation for (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone?
The canonical SMILES for (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone is O=C(/C=C1\C=CN(CCCCCO)c2ccccc21)n1ccc2ccccc21.
What is the InChIKey of (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone?
The InChIKey is NKVBBNBZWTWJFO-CZIZESTLSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-17-7-1-6-14-25-15-12-20(21-9-3-5-11-23(21)25)18-24(28)26-16-13-19-8-2-4-10-22(19)26/h2-5,8-13,15-16,18,27H,1,6-7,14,17H2/b20-18+.
What are the key properties of (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone?
(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone has a molecular weight of 372.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone is sourced from PubChem (CID 170454105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).