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

C23H28N4O2 — CID 56655930

IUPAC(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1ccc2c(n1)/C(=N/OCCCO/N=C1\CCCc3ccc(C)nc31)CCC2
InChIInChI=1S/C23H28N4O2/c1-16-10-12-18-6-3-8-20(22(18)24-16)26-28-14-5-15-29-27-21-9-4-7-19-13-11-17(2)25-23(19)21/h10-13H,3-9,14-15H2,1-2H3/b26-20+,27-21+
InChIKeyJJGJDEXOWPXTQI-CRYYDKFDSA-N
MW392.50 g/mol
LogP4.30
Rot. Bonds6

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

(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 56655930) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
PubChem CID56655930
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
SMILESCc1ccc2c(n1)/C(=N/OCCCO/N=C1\CCCc3ccc(C)nc31)CCC2
InChIInChI=1S/C23H28N4O2/c1-16-10-12-18-6-3-8-20(22(18)24-16)26-28-14-5-15-29-27-21-9-4-7-19-13-11-17(2)25-23(19)21/h10-13H,3-9,14-15H2,1-2H3/b26-20+,27-21+
InChIKeyJJGJDEXOWPXTQI-CRYYDKFDSA-N
XLogP4.30
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.30
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine (CID 56655930) is (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine is Cc1ccc2c(n1)/C(=N/OCCCO/N=C1\CCCc3ccc(C)nc31)CCC2.
What is the InChIKey of (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is JJGJDEXOWPXTQI-CRYYDKFDSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-10-12-18-6-3-8-20(22(18)24-16)26-28-14-5-15-29-27-21-9-4-7-19-13-11-17(2)25-23(19)21/h10-13H,3-9,14-15H2,1-2H3/b26-20+,27-21+.
What are the key properties of (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 392.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 56655930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).