N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide

C29H33N5O3 — CID 163712559

IUPACN-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
SMILESCCNC(=O)n1ccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(/C=N/C)cc34)ccc21
InChIInChI=1S/C29H33N5O3/c1-3-31-29(35)34-15-10-21-17-23(7-8-26(21)34)37-27-9-11-32-25-19-28(22(20-30-2)18-24(25)27)36-16-6-14-33-12-4-5-13-33/h7-11,15,17-20H,3-6,12-14,16H2,1-2H3,(H,31,35)/b30-20+
InChIKeyKKNYVYLOJUCFHH-TWKHWXDSSA-N
MW499.62 g/mol
LogP5.47
Rot. Bonds9

About N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide

N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide (PubChem CID 163712559) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
PubChem CID163712559
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC NameN-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
SMILESCCNC(=O)n1ccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(/C=N/C)cc34)ccc21
InChIInChI=1S/C29H33N5O3/c1-3-31-29(35)34-15-10-21-17-23(7-8-26(21)34)37-27-9-11-32-25-19-28(22(20-30-2)18-24(25)27)36-16-6-14-33-12-4-5-13-33/h7-11,15,17-20H,3-6,12-14,16H2,1-2H3,(H,31,35)/b30-20+
InChIKeyKKNYVYLOJUCFHH-TWKHWXDSSA-N
XLogP5.47
TPSA80.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide 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

4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
CID 58272783
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
CID 89363531
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]urea;hydrochloride
CID 23022657
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
CID 87307976
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
CID 67202393
N-(5-tert-butyl-2-methoxyphenyl)-6-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813253
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide (CID 163712559) is N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide is CCNC(=O)n1ccc2cc(Oc3ccnc4cc(OCCCN5CCCC5)c(/C=N/C)cc34)ccc21.
What is the InChIKey of N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide?
The InChIKey is KKNYVYLOJUCFHH-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-3-31-29(35)34-15-10-21-17-23(7-8-26(21)34)37-27-9-11-32-25-19-28(22(20-30-2)18-24(25)27)36-16-6-14-33-12-4-5-13-33/h7-11,15,17-20H,3-6,12-14,16H2,1-2H3,(H,31,35)/b30-20+.
What are the key properties of N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide?
N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 163712559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).