(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one

C15H18N2O2 — CID 162471945

IUPAC(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one
SMILESCc1ccc2c(c1)=C/C(=C\N(O)C(C)(C)C)C(=O)N=2
InChIInChI=1S/C15H18N2O2/c1-10-5-6-13-11(7-10)8-12(14(18)16-13)9-17(19)15(2,3)4/h5-9,19H,1-4H3/b12-9+
InChIKeyRYPKSUAONXERIA-FMIVXFBMSA-N
MW258.32 g/mol
LogP1.31
Rot. Bonds1

About (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one

(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one (PubChem CID 162471945) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one
PubChem CID162471945
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one
SMILESCc1ccc2c(c1)=C/C(=C\N(O)C(C)(C)C)C(=O)N=2
InChIInChI=1S/C15H18N2O2/c1-10-5-6-13-11(7-10)8-12(14(18)16-13)9-17(19)15(2,3)4/h5-9,19H,1-4H3/b12-9+
InChIKeyRYPKSUAONXERIA-FMIVXFBMSA-N
XLogP1.31
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one?
The IUPAC name of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one (CID 162471945) is (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one.
What is the SMILES notation for (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one?
The canonical SMILES for (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one is Cc1ccc2c(c1)=C/C(=C\N(O)C(C)(C)C)C(=O)N=2.
What is the InChIKey of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one?
The InChIKey is RYPKSUAONXERIA-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-5-6-13-11(7-10)8-12(14(18)16-13)9-17(19)15(2,3)4/h5-9,19H,1-4H3/b12-9+.
What are the key properties of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one?
(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]-6-methylquinolin-2-one is sourced from PubChem (CID 162471945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).