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

C14H17ClN2O2 — CID 6510073

IUPAC1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-2-3-4-14(18)17-8-7-12(16-19)11-9-10(15)5-6-13(11)17/h5-6,9,19H,2-4,7-8H2,1H3/b16-12-
InChIKeyAUFPWKHBEWESHY-VBKFSLOCSA-N
MW280.75 g/mol
LogP3.45
Rot. Bonds3

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

1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one (PubChem CID 6510073) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one
PubChem CID6510073
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClN2O2/c1-2-3-4-14(18)17-8-7-12(16-19)11-9-10(15)5-6-13(11)17/h5-6,9,19H,2-4,7-8H2,1H3/b16-12-
InChIKeyAUFPWKHBEWESHY-VBKFSLOCSA-N
XLogP3.45
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.45
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]pentan-1-one?
The IUPAC name of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one (CID 6510073) is 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one is CCCCC(=O)N1CC/C(=N/O)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one?
The InChIKey is AUFPWKHBEWESHY-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-3-4-14(18)17-8-7-12(16-19)11-9-10(15)5-6-13(11)17/h5-6,9,19H,2-4,7-8H2,1H3/b16-12-.
What are the key properties of 1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one?
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]pentan-1-one has a molecular weight of 280.75 g/mol, XLogP of 3.45, 3 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]pentan-1-one is sourced from PubChem (CID 6510073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).