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

C25H22N4O — CID 4711094

IUPACN-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
SMILESCOc1ccccc1C=NN/C(=N\c1ccc(C)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C25H22N4O/c1-18-11-14-21(15-12-18)27-25(23-16-13-19-7-3-5-9-22(19)28-23)29-26-17-20-8-4-6-10-24(20)30-2/h3-17H,1-2H3,(H,27,29)
InChIKeyHPQRMHAVRFYVLS-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.25
Rot. Bonds5

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

N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide (PubChem CID 4711094) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
PubChem CID4711094
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
SMILESCOc1ccccc1C=NN/C(=N\c1ccc(C)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C25H22N4O/c1-18-11-14-21(15-12-18)27-25(23-16-13-19-7-3-5-9-22(19)28-23)29-26-17-20-8-4-6-10-24(20)30-2/h3-17H,1-2H3,(H,27,29)
InChIKeyHPQRMHAVRFYVLS-UHFFFAOYSA-N
XLogP5.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'-(2,6-dibromo-4-methylphenyl)-N-[(2-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 5231010
N'-(4-methylphenyl)-N-[[4-[[[N-(4-methylphenyl)-C-quinolin-2-ylcarbonimidoyl]hydrazinylidene]methyl]phenyl]methylideneamino]quinoline-2-carboximidamide
CID 4636500
N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 135659542
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 135602484
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1376615
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659168
N'-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-benzothiazole-2-carboximidamide
CID 3902926
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120502

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide (CID 4711094) is N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide is COc1ccccc1C=NN/C(=N\c1ccc(C)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide?
The InChIKey is HPQRMHAVRFYVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-18-11-14-21(15-12-18)27-25(23-16-13-19-7-3-5-9-22(19)28-23)29-26-17-20-8-4-6-10-24(20)30-2/h3-17H,1-2H3,(H,27,29).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide?
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide has a molecular weight of 394.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide is sourced from PubChem (CID 4711094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).