6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one

C17H14BrN3O — CID 135954546

IUPAC6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
SMILESC/C(=N/N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H14BrN3O/c1-10(21-19)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(15)22/h2-9H,19H2,1H3,(H,20,22)/b21-10-
InChIKeyVEYLEJHLEIWGBG-FBHDLOMBSA-N
MW356.22 g/mol
LogP3.64
Rot. Bonds2

About 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one

6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one (PubChem CID 135954546) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
PubChem CID135954546
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
SMILESC/C(=N/N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C17H14BrN3O/c1-10(21-19)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(15)22/h2-9H,19H2,1H3,(H,20,22)/b21-10-
InChIKeyVEYLEJHLEIWGBG-FBHDLOMBSA-N
XLogP3.64
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 5345818
6-bromo-4-phenyl-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 5337923
3-acetyl-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
CID 15710367
3-[3-(4-bromophenyl)prop-2-enoyl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 2882181
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
6-bromo-3-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 5195017
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
CID 143602127
5-bromo-N-(cinnamylideneamino)-3-phenyl-1H-indole-2-carboxamide
CID 3497203
ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
CID 766186
6-bromo-4-phenyl-3-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1H-quinolin-2-one
CID 136920119
N-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-2-morpholin-4-ium-4-ylacetamide
CID 4754194

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one (CID 135954546) is 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one is C/C(=N/N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one?
The InChIKey is VEYLEJHLEIWGBG-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-10(21-19)15-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(15)22/h2-9H,19H2,1H3,(H,20,22)/b21-10-.
What are the key properties of 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one?
6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one has a molecular weight of 356.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).