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

C11H11ClN2O2 — CID 6510071

IUPAC1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10-
InChIKeyNJNLNQPIKSHXQP-RAXLEYEMSA-N
MW238.67 g/mol
LogP2.27
Rot. Bonds

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

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone (PubChem CID 6510071) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone
PubChem CID6510071
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10-
InChIKeyNJNLNQPIKSHXQP-RAXLEYEMSA-N
XLogP2.27
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone (CID 6510071) is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone is CC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone?
The InChIKey is NJNLNQPIKSHXQP-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(15)14-5-4-10(13-16)9-6-8(12)2-3-11(9)14/h2-3,6,16H,4-5H2,1H3/b13-10-.
What are the key properties of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone?
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]ethanone has a molecular weight of 238.67 g/mol, XLogP of 2.27, 0 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]ethanone is sourced from PubChem (CID 6510071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).