N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine

C15H19FN2O — CID 50867471

IUPACN-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
SMILESCCN1c2cc(F)c(C=NO)cc2C(C)=CC1(C)C
InChIInChI=1S/C15H19FN2O/c1-5-18-14-7-13(16)11(9-17-19)6-12(14)10(2)8-15(18,3)4/h6-9,19H,5H2,1-4H3
InChIKeyRNNURBCTEITMKV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.66
Rot. Bonds2

About N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine

N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine (PubChem CID 50867471) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
PubChem CID50867471
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
SMILESCCN1c2cc(F)c(C=NO)cc2C(C)=CC1(C)C
InChIInChI=1S/C15H19FN2O/c1-5-18-14-7-13(16)11(9-17-19)6-12(14)10(2)8-15(18,3)4/h6-9,19H,5H2,1-4H3
InChIKeyRNNURBCTEITMKV-UHFFFAOYSA-N
XLogP3.66
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.66
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'}

Analyze N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50867552
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-phenylthiourea
CID 50867465
N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 50867469
N-(1,3-benzodioxol-5-yl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867627
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 50867527
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine (CID 50867471) is N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine is CCN1c2cc(F)c(C=NO)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is RNNURBCTEITMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-18-14-7-13(16)11(9-17-19)6-12(14)10(2)8-15(18,3)4/h6-9,19H,5H2,1-4H3.
What are the key properties of N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine?
N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 262.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 50867471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).