(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

C15H12BrN3O2 — CID 77033598

IUPAC(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H12BrN3O2/c16-11-7-10(8-17-9-11)15(20)19-6-5-13(18-21)12-3-1-2-4-14(12)19/h1-4,7-9,21H,5-6H2
InChIKeyLZORANSAUCSKLQ-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.07
Rot. Bonds1

About (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone

(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (PubChem CID 77033598) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
PubChem CID77033598
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(=NO)c2ccccc21
InChIInChI=1S/C15H12BrN3O2/c16-11-7-10(8-17-9-11)15(20)19-6-5-13(18-21)12-3-1-2-4-14(12)19/h1-4,7-9,21H,5-6H2
InChIKeyLZORANSAUCSKLQ-UHFFFAOYSA-N
XLogP3.07
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.07
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'}

Analyze (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone (CID 77033598) is (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is O=C(c1cncc(Br)c1)N1CCC(=NO)c2ccccc21.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
The InChIKey is LZORANSAUCSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-11-7-10(8-17-9-11)15(20)19-6-5-13(18-21)12-3-1-2-4-14(12)19/h1-4,7-9,21H,5-6H2.
What are the key properties of (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone has a molecular weight of 346.18 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone is sourced from PubChem (CID 77033598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).