2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

C27H18N4O2 — CID 23397135

IUPAC2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESN#Cc1ccc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)cc1
InChIInChI=1S/C27H18N4O2/c28-15-18-7-9-19(10-8-18)16-31-17-23(22-5-1-2-6-25(22)31)26(32)27(33)30-21-11-12-24-20(14-21)4-3-13-29-24/h1-14,17H,16H2,(H,30,33)
InChIKeyXIKNRXYQRLOAQD-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.93
Rot. Bonds5

About 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide

2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (PubChem CID 23397135) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
PubChem CID23397135
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
SMILESN#Cc1ccc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)cc1
InChIInChI=1S/C27H18N4O2/c28-15-18-7-9-19(10-8-18)16-31-17-23(22-5-1-2-6-25(22)31)26(32)27(33)30-21-11-12-24-20(14-21)4-3-13-29-24/h1-14,17H,16H2,(H,30,33)
InChIKeyXIKNRXYQRLOAQD-UHFFFAOYSA-N
XLogP4.93
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 11811669
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10222620
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 10915982
4-[(3-propanoylindol-1-yl)methyl]benzonitrile
CID 955249
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
ethyl N-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]-N-quinolin-6-ylcarbamate
CID 11455035
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-quinolin-6-yloxamide
CID 86996884
N-(cyanomethyl)-N'-quinolin-6-yloxamide
CID 62634263

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide (CID 23397135) is 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is N#Cc1ccc(Cn2cc(C(=O)C(=O)Nc3ccc4ncccc4c3)c3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
The InChIKey is XIKNRXYQRLOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c28-15-18-7-9-19(10-8-18)16-31-17-23(22-5-1-2-6-25(22)31)26(32)27(33)30-21-11-12-24-20(14-21)4-3-13-29-24/h1-14,17H,16H2,(H,30,33).
What are the key properties of 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide?
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide has a molecular weight of 430.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide is sourced from PubChem (CID 23397135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).