(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

C25H30F2N4O2 — CID 56655934

IUPAC(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1cc(CF)c2c(n1)/C(=N/OCCCO/N=C1\CCCc3c(CF)cc(C)nc31)CCC2
InChIInChI=1S/C25H30F2N4O2/c1-16-12-18(14-26)20-6-3-8-22(24(20)28-16)30-32-10-5-11-33-31-23-9-4-7-21-19(15-27)13-17(2)29-25(21)23/h12-13H,3-11,14-15H2,1-2H3/b30-22+,31-23+
InChIKeyWQFKQAVWIYDRJZ-WECXDZCISA-N
MW456.54 g/mol
LogP5.24
Rot. Bonds8

About (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 56655934) has the molecular formula C25H30F2N4O2 and a molecular weight of 456.54 g/mol. Its IUPAC name is (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
PubChem CID56655934
Molecular FormulaC25H30F2N4O2
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1cc(CF)c2c(n1)/C(=N/OCCCO/N=C1\CCCc3c(CF)cc(C)nc31)CCC2
InChIInChI=1S/C25H30F2N4O2/c1-16-12-18(14-26)20-6-3-8-22(24(20)28-16)30-32-10-5-11-33-31-23-9-4-7-21-19(15-27)13-17(2)29-25(21)23/h12-13H,3-11,14-15H2,1-2H3/b30-22+,31-23+
InChIKeyWQFKQAVWIYDRJZ-WECXDZCISA-N
XLogP5.24
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (CID 56655934) is (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is Cc1cc(CF)c2c(n1)/C(=N/OCCCO/N=C1\CCCc3c(CF)cc(C)nc31)CCC2.
What is the InChIKey of (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is WQFKQAVWIYDRJZ-WECXDZCISA-N. The full InChI is InChI=1S/C25H30F2N4O2/c1-16-12-18(14-26)20-6-3-8-22(24(20)28-16)30-32-10-5-11-33-31-23-9-4-7-21-19(15-27)13-17(2)29-25(21)23/h12-13H,3-11,14-15H2,1-2H3/b30-22+,31-23+.
What are the key properties of (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
(E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 456.54 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(fluoromethyl)-N-[3-[(E)-[4-(fluoromethyl)-2-methyl-6,7-dihydro-5H-quinolin-8-ylidene]amino]oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 56655934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).