2-hydroxyimino-1-phenylethanone;quinoline

C17H14N2O2 — CID 161451163

IUPAC2-hydroxyimino-1-phenylethanone;quinoline
SMILESO=C(C=NO)c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H7NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-8(6-9-11)7-4-2-1-3-5-7/h1-7H;1-6,11H
InChIKeyWANWUVLWMMQCOH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.56
Rot. Bonds2

About 2-hydroxyimino-1-phenylethanone;quinoline

2-hydroxyimino-1-phenylethanone;quinoline (PubChem CID 161451163) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxyimino-1-phenylethanone;quinoline.

Molecular Properties

Compound Name2-hydroxyimino-1-phenylethanone;quinoline
PubChem CID161451163
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-hydroxyimino-1-phenylethanone;quinoline
SMILESO=C(C=NO)c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H7NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-8(6-9-11)7-4-2-1-3-5-7/h1-7H;1-6,11H
InChIKeyWANWUVLWMMQCOH-UHFFFAOYSA-N
XLogP3.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;2-hydroxyimino-1-phenylethanone
CID 172864672
carbonic acid;quinoline
CID 23206844
formaldehyde;2-hydroxyimino-1-phenylethanone
CID 174600728
acetic acid;quinoline
CID 67159702
CID 174778702
CID 174778702
1-phenylpropan-1-one;quinoline
CID 174570718
quinoline
CID 76974643
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
2,2-dichloroacetic acid;quinoline
CID 173189076
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-phenylethanone;quinoline?
The IUPAC name of 2-hydroxyimino-1-phenylethanone;quinoline (CID 161451163) is 2-hydroxyimino-1-phenylethanone;quinoline.
What is the SMILES notation for 2-hydroxyimino-1-phenylethanone;quinoline?
The canonical SMILES for 2-hydroxyimino-1-phenylethanone;quinoline is O=C(C=NO)c1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of 2-hydroxyimino-1-phenylethanone;quinoline?
The InChIKey is WANWUVLWMMQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H7NO2/c1-2-6-9-8(4-1)5-3-7-10-9;10-8(6-9-11)7-4-2-1-3-5-7/h1-7H;1-6,11H.
What are the key properties of 2-hydroxyimino-1-phenylethanone;quinoline?
2-hydroxyimino-1-phenylethanone;quinoline has a molecular weight of 278.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-phenylethanone;quinoline is sourced from PubChem (CID 161451163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).