(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine

C12H11ClN2O — CID 89283865

IUPAC(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C)c2cc(/C=N/O)c(Cl)nc2c1
InChIInChI=1S/C12H11ClN2O/c1-7-3-8(2)10-5-9(6-14-16)12(13)15-11(10)4-7/h3-6,16H,1-2H3/b14-6+
InChIKeyRFFYSEPDINKBBR-MKMNVTDBSA-N
MW234.69 g/mol
LogP3.31
Rot. Bonds1

About (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine

(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine (PubChem CID 89283865) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine
PubChem CID89283865
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C)c2cc(/C=N/O)c(Cl)nc2c1
InChIInChI=1S/C12H11ClN2O/c1-7-3-8(2)10-5-9(6-14-16)12(13)15-11(10)4-7/h3-6,16H,1-2H3/b14-6+
InChIKeyRFFYSEPDINKBBR-MKMNVTDBSA-N
XLogP3.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine (CID 89283865) is (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine is Cc1cc(C)c2cc(/C=N/O)c(Cl)nc2c1.
What is the InChIKey of (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine?
The InChIKey is RFFYSEPDINKBBR-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-7-3-8(2)10-5-9(6-14-16)12(13)15-11(10)4-7/h3-6,16H,1-2H3/b14-6+.
What are the key properties of (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine?
(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine has a molecular weight of 234.69 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 89283865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).