N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine

C42H50N8O4 — CID 123991363

IUPACN-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESCON=C(C)c1cccc(CCCc2cccc(C(C)=NOCC3CCC(=NOC)c4nc(CCCc5ccc6c(n5)C(=NOC)CCC6)ccc43)n2)n1
InChIInChI=1S/C42H50N8O4/c1-28(47-51-3)37-18-9-16-32(43-37)12-7-13-33-17-10-19-38(44-33)29(2)48-54-27-31-22-26-40(50-53-5)42-36(31)25-24-35(46-42)15-8-14-34-23-21-30-11-6-20-39(49-52-4)41(30)45-34/h9-10,16-19,21,23-25,31H,6-8,11-15,20,22,26-27H2,1-5H3
InChIKeyLPBXWXRLNDXBJT-UHFFFAOYSA-N
MW730.91 g/mol
LogP7.34
Rot. Bonds16

About N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine

N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123991363) has the molecular formula C42H50N8O4 and a molecular weight of 730.91 g/mol. Its IUPAC name is N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound NameN-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123991363
Molecular FormulaC42H50N8O4
Molecular Weight730.91 g/mol
Exact Mass730.40
IUPAC NameN-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESCON=C(C)c1cccc(CCCc2cccc(C(C)=NOCC3CCC(=NOC)c4nc(CCCc5ccc6c(n5)C(=NOC)CCC6)ccc43)n2)n1
InChIInChI=1S/C42H50N8O4/c1-28(47-51-3)37-18-9-16-32(43-37)12-7-13-33-17-10-19-38(44-33)29(2)48-54-27-31-22-26-40(50-53-5)42-36(31)25-24-35(46-42)15-8-14-34-23-21-30-11-6-20-39(49-52-4)41(30)45-34/h9-10,16-19,21,23-25,31H,6-8,11-15,20,22,26-27H2,1-5H3
InChIKeyLPBXWXRLNDXBJT-UHFFFAOYSA-N
XLogP7.34
TPSA137.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine (CID 123991363) is N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine is CON=C(C)c1cccc(CCCc2cccc(C(C)=NOCC3CCC(=NOC)c4nc(CCCc5ccc6c(n5)C(=NOC)CCC6)ccc43)n2)n1.
What is the InChIKey of N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is LPBXWXRLNDXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50N8O4/c1-28(47-51-3)37-18-9-16-32(43-37)12-7-13-33-17-10-19-38(44-33)29(2)48-54-27-31-22-26-40(50-53-5)42-36(31)25-24-35(46-42)15-8-14-34-23-21-30-11-6-20-39(49-52-4)41(30)45-34/h9-10,16-19,21,23-25,31H,6-8,11-15,20,22,26-27H2,1-5H3.
What are the key properties of N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine?
N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 730.91 g/mol, XLogP of 7.34, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123991363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).