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

C14H16N2O2 — CID 162471942

IUPAC(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one
SMILESCC(C)(C)N(O)/C=C1\C=c2ccccc2=NC1=O
InChIInChI=1S/C14H16N2O2/c1-14(2,3)16(18)9-11-8-10-6-4-5-7-12(10)15-13(11)17/h4-9,18H,1-3H3/b11-9+
InChIKeyICPRWGHZHMIJHC-PKNBQFBNSA-N
MW244.29 g/mol
LogP1.00
Rot. Bonds1

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

(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one (PubChem CID 162471942) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one.

Molecular Properties

Compound Name(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one
PubChem CID162471942
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one
SMILESCC(C)(C)N(O)/C=C1\C=c2ccccc2=NC1=O
InChIInChI=1S/C14H16N2O2/c1-14(2,3)16(18)9-11-8-10-6-4-5-7-12(10)15-13(11)17/h4-9,18H,1-3H3/b11-9+
InChIKeyICPRWGHZHMIJHC-PKNBQFBNSA-N
XLogP1.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.00
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]quinolin-2-one?
The IUPAC name of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one (CID 162471942) is (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one.
What is the SMILES notation for (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one?
The canonical SMILES for (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one is CC(C)(C)N(O)/C=C1\C=c2ccccc2=NC1=O.
What is the InChIKey of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one?
The InChIKey is ICPRWGHZHMIJHC-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)16(18)9-11-8-10-6-4-5-7-12(10)15-13(11)17/h4-9,18H,1-3H3/b11-9+.
What are the key properties of (3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one?
(3E)-3-[[tert-butyl(hydroxy)amino]methylidene]quinolin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.00, 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]quinolin-2-one is sourced from PubChem (CID 162471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).