N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide

C26H21N5 — CID 177498963

IUPACN'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
SMILESN/C(=N\N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C26H21N5/c27-26(24-15-14-20-10-4-6-12-23(20)29-24)30-28-16-21-18-31(17-19-8-2-1-3-9-19)25-13-7-5-11-22(21)25/h1-16,18H,17H2,(H2,27,30)/b28-16+
InChIKeyDSZJAMKLBDANBF-LQKURTRISA-N
MW403.49 g/mol
LogP4.98
Rot. Bonds5

About N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide

N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide (PubChem CID 177498963) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
PubChem CID177498963
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC NameN'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
SMILESN/C(=N\N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C26H21N5/c27-26(24-15-14-20-10-4-6-12-23(20)29-24)30-28-16-21-18-31(17-19-8-2-1-3-9-19)25-13-7-5-11-22(21)25/h1-16,18H,17H2,(H2,27,30)/b28-16+
InChIKeyDSZJAMKLBDANBF-LQKURTRISA-N
XLogP4.98
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.98
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'-[(E)-[1-[(2-bromophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
CID 6474451
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
3-[(1-benzylindol-3-yl)methylideneamino]oxypropan-1-ol
CID 86598364
2-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]guanidine
CID 164715497
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
CID 45108977
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6887954
1-[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylideneamino]methanimine
CID 3938272
N'-[(E)-[5-chloro-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]ethanimidamide
CID 172962475
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide?
The IUPAC name of N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide (CID 177498963) is N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide.
What is the SMILES notation for N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide?
The canonical SMILES for N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide is N/C(=N\N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide?
The InChIKey is DSZJAMKLBDANBF-LQKURTRISA-N. The full InChI is InChI=1S/C26H21N5/c27-26(24-15-14-20-10-4-6-12-23(20)29-24)30-28-16-21-18-31(17-19-8-2-1-3-9-19)25-13-7-5-11-22(21)25/h1-16,18H,17H2,(H2,27,30)/b28-16+.
What are the key properties of N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide?
N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide has a molecular weight of 403.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide is sourced from PubChem (CID 177498963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).