2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine

C26H28N4O2 — CID 123415980

IUPAC2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
SMILESCC(=NOCCCON=C1CCCc2ccc(C)nc21)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C26H28N4O2/c1-19-15-16-22-11-6-14-25(26(22)27-19)30-32-18-8-17-31-29-20(2)23-12-7-13-24(28-23)21-9-4-3-5-10-21/h3-5,7,9-10,12-13,15-16H,6,8,11,14,17-18H2,1-2H3
InChIKeyHWWSDNOZVYWNDY-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.34
Rot. Bonds8

About 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine

2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123415980) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123415980
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
SMILESCC(=NOCCCON=C1CCCc2ccc(C)nc21)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C26H28N4O2/c1-19-15-16-22-11-6-14-25(26(22)27-19)30-32-18-8-17-31-29-20(2)23-12-7-13-24(28-23)21-9-4-3-5-10-21/h3-5,7,9-10,12-13,15-16H,6,8,11,14,17-18H2,1-2H3
InChIKeyHWWSDNOZVYWNDY-UHFFFAOYSA-N
XLogP5.34
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.34
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 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine (CID 123415980) is 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine is CC(=NOCCCON=C1CCCc2ccc(C)nc21)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is HWWSDNOZVYWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-15-16-22-11-6-14-25(26(22)27-19)30-32-18-8-17-31-29-20(2)23-12-7-13-24(28-23)21-9-4-3-5-10-21/h3-5,7,9-10,12-13,15-16H,6,8,11,14,17-18H2,1-2H3.
What are the key properties of 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine?
2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 428.54 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(6-phenyl-2-pyridinyl)ethylideneamino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123415980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).