3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one

C16H15BrN4O — CID 139226144

IUPAC3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESN/N=C(/CC1Nc2ccccc2NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O/c17-11-7-5-10(6-8-11)14(21-18)9-15-16(22)20-13-4-2-1-3-12(13)19-15/h1-8,15,19H,9,18H2,(H,20,22)/b21-14-
InChIKeyNPDARLQUTWXGOX-STZFKDTASA-N
MW359.23 g/mol
LogP2.93
Rot. Bonds3

About 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one

3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 139226144) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID139226144
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESN/N=C(/CC1Nc2ccccc2NC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O/c17-11-7-5-10(6-8-11)14(21-18)9-15-16(22)20-13-4-2-1-3-12(13)19-15/h1-8,15,19H,9,18H2,(H,20,22)/b21-14-
InChIKeyNPDARLQUTWXGOX-STZFKDTASA-N
XLogP2.93
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one (CID 139226144) is 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one is N/N=C(/CC1Nc2ccccc2NC1=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is NPDARLQUTWXGOX-STZFKDTASA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-11-7-5-10(6-8-11)14(21-18)9-15-16(22)20-13-4-2-1-3-12(13)19-15/h1-8,15,19H,9,18H2,(H,20,22)/b21-14-.
What are the key properties of 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one?
3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 359.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-(4-bromophenyl)-2-hydrazinylideneethyl]-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 139226144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).