N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

C23H27Cl2FN4O2 — CID 123794672

IUPACN-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1ccc2c(n1)C(=NOCC(C)(C)CON=C(c1ncc(Cl)cc1F)C(C)Cl)CCC2
InChIInChI=1S/C23H27Cl2FN4O2/c1-14-8-9-16-6-5-7-19(21(16)28-14)29-31-12-23(3,4)13-32-30-20(15(2)24)22-18(26)10-17(25)11-27-22/h8-11,15H,5-7,12-13H2,1-4H3
InChIKeyYHIXXBNDVRFKKP-UHFFFAOYSA-N
MW481.40 g/mol
LogP5.71
Rot. Bonds8

About N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123794672) has the molecular formula C23H27Cl2FN4O2 and a molecular weight of 481.40 g/mol. Its IUPAC name is N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound NameN-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123794672
Molecular FormulaC23H27Cl2FN4O2
Molecular Weight481.40 g/mol
Exact Mass480.15
IUPAC NameN-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1ccc2c(n1)C(=NOCC(C)(C)CON=C(c1ncc(Cl)cc1F)C(C)Cl)CCC2
InChIInChI=1S/C23H27Cl2FN4O2/c1-14-8-9-16-6-5-7-19(21(16)28-14)29-31-12-23(3,4)13-32-30-20(15(2)24)22-18(26)10-17(25)11-27-22/h8-11,15H,5-7,12-13H2,1-4H3
InChIKeyYHIXXBNDVRFKKP-UHFFFAOYSA-N
XLogP5.71
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (CID 123794672) is N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is Cc1ccc2c(n1)C(=NOCC(C)(C)CON=C(c1ncc(Cl)cc1F)C(C)Cl)CCC2.
What is the InChIKey of N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is YHIXXBNDVRFKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2FN4O2/c1-14-8-9-16-6-5-7-19(21(16)28-14)29-31-12-23(3,4)13-32-30-20(15(2)24)22-18(26)10-17(25)11-27-22/h8-11,15H,5-7,12-13H2,1-4H3.
What are the key properties of N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 481.40 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)propylidene]amino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123794672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).