N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide

C21H18N4O2 — CID 136900787

IUPACN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12
InChIInChI=1S/C21H18N4O2/c1-14-17(16-8-2-3-9-18(16)24-14)12-23-25-20(26)13-27-19-10-4-6-15-7-5-11-22-21(15)19/h2-12,24H,13H2,1H3,(H,25,26)/b23-12-
InChIKeyCIICWINFOUPYCL-FMCGGJTJSA-N
MW358.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 136900787) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID136900787
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12
InChIInChI=1S/C21H18N4O2/c1-14-17(16-8-2-3-9-18(16)24-14)12-23-25-20(26)13-27-19-10-4-6-15-7-5-11-22-21(15)19/h2-12,24H,13H2,1H3,(H,25,26)/b23-12-
InChIKeyCIICWINFOUPYCL-FMCGGJTJSA-N
XLogP3.55
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030174
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126030148
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
N-[(E)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022085
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023683
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028085

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 136900787) is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12.
What is the InChIKey of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is CIICWINFOUPYCL-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-17(16-8-2-3-9-18(16)24-14)12-23-25-20(26)13-27-19-10-4-6-15-7-5-11-22-21(15)19/h2-12,24H,13H2,1H3,(H,25,26)/b23-12-.
What are the key properties of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 136900787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).