N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

C20H20ClFN2O — CID 148501909

IUPACN-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C20H20ClFN2O/c21-16-3-1-2-14(10-16)13-23-19-20(6-8-25-9-7-20)12-15-4-5-17(22)11-18(15)24-19/h1-5,10-11H,6-9,12-13H2,(H,23,24)
InChIKeyMKUUKGQXXSYCFF-UHFFFAOYSA-N
MW358.84 g/mol
LogP4.84
Rot. Bonds2

About N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine

N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (PubChem CID 148501909) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
PubChem CID148501909
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC NameN-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
SMILESFc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C20H20ClFN2O/c21-16-3-1-2-14(10-16)13-23-19-20(6-8-25-9-7-20)12-15-4-5-17(22)11-18(15)24-19/h1-5,10-11H,6-9,12-13H2,(H,23,24)
InChIKeyMKUUKGQXXSYCFF-UHFFFAOYSA-N
XLogP4.84
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine (CID 148501909) is N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is Fc1ccc2c(c1)N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
The InChIKey is MKUUKGQXXSYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O/c21-16-3-1-2-14(10-16)13-23-19-20(6-8-25-9-7-20)12-15-4-5-17(22)11-18(15)24-19/h1-5,10-11H,6-9,12-13H2,(H,23,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine?
N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine has a molecular weight of 358.84 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine is sourced from PubChem (CID 148501909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).