N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine

C14H18N2O — CID 50864201

IUPACN-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
SMILESCC1=CC(C)(C)N(C)c2ccc(C=NO)cc21
InChIInChI=1S/C14H18N2O/c1-10-8-14(2,3)16(4)13-6-5-11(9-15-17)7-12(10)13/h5-9,17H,1-4H3
InChIKeyOCBHDVVZEFCRPY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds1

About N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine

N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine (PubChem CID 50864201) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
PubChem CID50864201
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine
SMILESCC1=CC(C)(C)N(C)c2ccc(C=NO)cc21
InChIInChI=1S/C14H18N2O/c1-10-8-14(2,3)16(4)13-6-5-11(9-15-17)7-12(10)13/h5-9,17H,1-4H3
InChIKeyOCBHDVVZEFCRPY-UHFFFAOYSA-N
XLogP3.13
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.13
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 N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine (CID 50864201) is N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine is CC1=CC(C)(C)N(C)c2ccc(C=NO)cc21.
What is the InChIKey of N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is OCBHDVVZEFCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-8-14(2,3)16(4)13-6-5-11(9-15-17)7-12(10)13/h5-9,17H,1-4H3.
What are the key properties of N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine?
N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 230.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 50864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).