6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one

C21H16N2O2 — CID 141304916

IUPAC6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one
SMILESO=C1C(=NO)CCc2nc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C21H16N2O2/c24-21-17-13-16(14-7-3-1-4-8-14)20(15-9-5-2-6-10-15)22-18(17)11-12-19(21)23-25/h1-10,13,25H,11-12H2
InChIKeyLJEIYDIYWMTOBT-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.37
Rot. Bonds2

About 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one

6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one (PubChem CID 141304916) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one
PubChem CID141304916
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one
SMILESO=C1C(=NO)CCc2nc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C21H16N2O2/c24-21-17-13-16(14-7-3-1-4-8-14)20(15-9-5-2-6-10-15)22-18(17)11-12-19(21)23-25/h1-10,13,25H,11-12H2
InChIKeyLJEIYDIYWMTOBT-UHFFFAOYSA-N
XLogP4.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

tert-butyl-[1-[4-(6-hydroxyimino-5-oxo-3-phenyl-7,8-dihydroquinolin-2-yl)phenyl]cyclobutyl]carbamic acid
CID 173056954
2-methyl-7,8-diphenyl-4,5-dihydropyrazolo[3,4-f]quinoline
CID 141304902
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
2,3-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 14436619
lithium;2,3-diphenylquinolin-5-ol;hydride
CID 174772689
2,3-diphenyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 67270850
2,5,6-triphenylpyridin-3-ol
CID 134913850
(5Z)-5-hydroxyimino-6,7-dihydro-2,1,3-benzoxadiazol-4-one
CID 6401449
tert-butyl-[1-[4-(2-methyl-8-phenyl-4,5-dihydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 67261432
3-[7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-3-yl]propan-1-ol
CID 158050487
1-[4-(3-ethyl-8-phenyl-4,5-dihydro-2H-pyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 160935356
1-[4-(1-methyl-8-phenyl-2,3,4,5-tetrahydropyrazolo[3,4-f]quinolin-7-yl)phenyl]cyclobutan-1-amine
CID 141304876

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one (CID 141304916) is 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one is O=C1C(=NO)CCc2nc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one?
The InChIKey is LJEIYDIYWMTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21-17-13-16(14-7-3-1-4-8-14)20(15-9-5-2-6-10-15)22-18(17)11-12-19(21)23-25/h1-10,13,25H,11-12H2.
What are the key properties of 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one?
6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one has a molecular weight of 328.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyimino-2,3-diphenyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 141304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).