1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one

C13H15ClN2O2 — CID 6510072

IUPAC1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2/c1-2-3-13(17)16-7-6-11(15-18)10-8-9(14)4-5-12(10)16/h4-5,8,18H,2-3,6-7H2,1H3/b15-11-
InChIKeyXWPGSXMQSZAQLG-PTNGSMBKSA-N
MW266.73 g/mol
LogP3.06
Rot. Bonds2

About 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one (PubChem CID 6510072) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one
PubChem CID6510072
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2/c1-2-3-13(17)16-7-6-11(15-18)10-8-9(14)4-5-12(10)16/h4-5,8,18H,2-3,6-7H2,1H3/b15-11-
InChIKeyXWPGSXMQSZAQLG-PTNGSMBKSA-N
XLogP3.06
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one 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 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one?
The IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one (CID 6510072) is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one.
What is the SMILES notation for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one?
The canonical SMILES for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one is CCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one?
The InChIKey is XWPGSXMQSZAQLG-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-3-13(17)16-7-6-11(15-18)10-8-9(14)4-5-12(10)16/h4-5,8,18H,2-3,6-7H2,1H3/b15-11-.
What are the key properties of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one?
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one has a molecular weight of 266.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one is sourced from PubChem (CID 6510072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).