N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide

C28H28N4O2 — CID 19260403

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
SMILESCCCCOc1ccc(/C=N/N/C(=N\c2ccccc2OC)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H28N4O2/c1-3-4-19-34-23-16-13-21(14-17-23)20-29-32-28(31-25-11-7-8-12-27(25)33-2)26-18-15-22-9-5-6-10-24(22)30-26/h5-18,20H,3-4,19H2,1-2H3,(H,31,32)/b29-20+
InChIKeyGYVFRCLBSPPDJN-ZTKZIYFRSA-N
MW452.56 g/mol
LogP6.12
Rot. Bonds9

About N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide

N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide (PubChem CID 19260403) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
PubChem CID19260403
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
SMILESCCCCOc1ccc(/C=N/N/C(=N\c2ccccc2OC)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H28N4O2/c1-3-4-19-34-23-16-13-21(14-17-23)20-29-32-28(31-25-11-7-8-12-27(25)33-2)26-18-15-22-9-5-6-10-24(22)30-26/h5-18,20H,3-4,19H2,1-2H3,(H,31,32)/b29-20+
InChIKeyGYVFRCLBSPPDJN-ZTKZIYFRSA-N
XLogP6.12
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659163
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 135602484
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659164
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659168
N'-(2,6-dibromo-4-methylphenyl)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]quinoline-2-carboximidamide
CID 5231016
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230333
N'-(4-methylphenyl)-N-[[4-[[[N-(4-methylphenyl)-C-quinolin-2-ylcarbonimidoyl]hydrazinylidene]methyl]phenyl]methylideneamino]quinoline-2-carboximidamide
CID 4636500
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
CID 4711094
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
N'-(4-ethoxyphenyl)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 6307814

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide (CID 19260403) is N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide is CCCCOc1ccc(/C=N/N/C(=N\c2ccccc2OC)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The InChIKey is GYVFRCLBSPPDJN-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-3-4-19-34-23-16-13-21(14-17-23)20-29-32-28(31-25-11-7-8-12-27(25)33-2)26-18-15-22-9-5-6-10-24(22)30-26/h5-18,20H,3-4,19H2,1-2H3,(H,31,32)/b29-20+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide has a molecular weight of 452.56 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide is sourced from PubChem (CID 19260403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).