[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone

C15H18N2O2S — CID 81452504

IUPAC[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC/C(=N/O)c3ccccc32)CCCS1
InChIInChI=1S/C15H18N2O2S/c1-15(8-4-10-20-15)14(18)17-9-7-12(16-19)11-5-2-3-6-13(11)17/h2-3,5-6,19H,4,7-10H2,1H3/b16-12-
InChIKeyIWKJLAXPOTYNDF-VBKFSLOCSA-N
MW290.39 g/mol
LogP2.89
Rot. Bonds1

About [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone

[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81452504) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID81452504
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC/C(=N/O)c3ccccc32)CCCS1
InChIInChI=1S/C15H18N2O2S/c1-15(8-4-10-20-15)14(18)17-9-7-12(16-19)11-5-2-3-6-13(11)17/h2-3,5-6,19H,4,7-10H2,1H3/b16-12-
InChIKeyIWKJLAXPOTYNDF-VBKFSLOCSA-N
XLogP2.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone (CID 81452504) is [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone is CC1(C(=O)N2CC/C(=N/O)c3ccccc32)CCCS1.
What is the InChIKey of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is IWKJLAXPOTYNDF-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(8-4-10-20-15)14(18)17-9-7-12(16-19)11-5-2-3-6-13(11)17/h2-3,5-6,19H,4,7-10H2,1H3/b16-12-.
What are the key properties of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone?
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81452504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).