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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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).