4-(3-formylquinolin-2-yl)oxybenzonitrile

C17H10N2O2 — CID 28951925

IUPAC4-(3-formylquinolin-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C17H10N2O2/c18-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)19-17/h1-9,11H
InChIKeyINHPUQCOYRHSDA-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.71
Rot. Bonds3

About 4-(3-formylquinolin-2-yl)oxybenzonitrile

4-(3-formylquinolin-2-yl)oxybenzonitrile (PubChem CID 28951925) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(3-formylquinolin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(3-formylquinolin-2-yl)oxybenzonitrile
PubChem CID28951925
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name4-(3-formylquinolin-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C17H10N2O2/c18-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)19-17/h1-9,11H
InChIKeyINHPUQCOYRHSDA-UHFFFAOYSA-N
XLogP3.71
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-formylquinolin-2-yl)oxybenzonitrile?
The IUPAC name of 4-(3-formylquinolin-2-yl)oxybenzonitrile (CID 28951925) is 4-(3-formylquinolin-2-yl)oxybenzonitrile.
What is the SMILES notation for 4-(3-formylquinolin-2-yl)oxybenzonitrile?
The canonical SMILES for 4-(3-formylquinolin-2-yl)oxybenzonitrile is N#Cc1ccc(Oc2nc3ccccc3cc2C=O)cc1.
What is the InChIKey of 4-(3-formylquinolin-2-yl)oxybenzonitrile?
The InChIKey is INHPUQCOYRHSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c18-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)19-17/h1-9,11H.
What are the key properties of 4-(3-formylquinolin-2-yl)oxybenzonitrile?
4-(3-formylquinolin-2-yl)oxybenzonitrile has a molecular weight of 274.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formylquinolin-2-yl)oxybenzonitrile is sourced from PubChem (CID 28951925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).