N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C19H19ClFN3O — CID 137105089

IUPACN-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cc(Cl)ccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H19ClFN3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23)
InChIKeyYCMRVFQWIGNUAG-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.46
Rot. Bonds2

About N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137105089) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137105089
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cc(Cl)ccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C19H19ClFN3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23)
InChIKeyYCMRVFQWIGNUAG-UHFFFAOYSA-N
XLogP4.46
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137105089) is N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1cc(Cl)ccc1C/N=C1\Nc2ccccc2NC12CCOCC2.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is YCMRVFQWIGNUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c20-14-6-5-13(15(21)11-14)12-22-18-19(7-9-25-10-8-19)24-17-4-2-1-3-16(17)23-18/h1-6,11,24H,7-10,12H2,(H,22,23).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 359.83 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137105089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).