N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide

C26H21N5O — CID 135602484

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
SMILESCOc1ccccc1/N=C(\N/N=C/c1c[nH]c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C26H21N5O/c1-32-25-13-7-6-12-23(25)30-26(24-15-14-18-8-2-4-10-21(18)29-24)31-28-17-19-16-27-22-11-5-3-9-20(19)22/h2-17,27H,1H3,(H,30,31)/b28-17+
InChIKeyQCKZIKPNJLCDEZ-OGLMXYFKSA-N
MW419.49 g/mol
LogP5.43
Rot. Bonds5

About N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide

N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide (PubChem CID 135602484) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
PubChem CID135602484
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
SMILESCOc1ccccc1/N=C(\N/N=C/c1c[nH]c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C26H21N5O/c1-32-25-13-7-6-12-23(25)30-26(24-15-14-18-8-2-4-10-21(18)29-24)31-28-17-19-16-27-22-11-5-3-9-20(19)22/h2-17,27H,1H3,(H,30,31)/b28-17+
InChIKeyQCKZIKPNJLCDEZ-OGLMXYFKSA-N
XLogP5.43
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
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-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
CID 4711094
1-[(E)-1H-indol-3-ylmethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135683948
N'-(2,6-dibromo-4-methylphenyl)-N-[(2-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 5231010
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide (CID 135602484) is N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide is COc1ccccc1/N=C(\N/N=C/c1c[nH]c2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
The InChIKey is QCKZIKPNJLCDEZ-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H21N5O/c1-32-25-13-7-6-12-23(25)30-26(24-15-14-18-8-2-4-10-21(18)29-24)31-28-17-19-16-27-22-11-5-3-9-20(19)22/h2-17,27H,1H3,(H,30,31)/b28-17+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide has a molecular weight of 419.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide is sourced from PubChem (CID 135602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).