N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide

C24H26N4O5 — CID 647126

IUPACN-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1
InChIInChI=1S/C24H26N4O5/c1-30-18-6-7-19-15(11-18)10-17(14-25)23(28-19)26-8-5-9-27-24(29)16-12-20(31-2)22(33-4)21(13-16)32-3/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMOGWDYXRKFQPLL-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.37
Rot. Bonds10

About N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide

N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide (PubChem CID 647126) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide
PubChem CID647126
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1
InChIInChI=1S/C24H26N4O5/c1-30-18-6-7-19-15(11-18)10-17(14-25)23(28-19)26-8-5-9-27-24(29)16-12-20(31-2)22(33-4)21(13-16)32-3/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMOGWDYXRKFQPLL-UHFFFAOYSA-N
XLogP3.37
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide (CID 647126) is N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide is COc1ccc2nc(NCCCNC(=O)c3cc(OC)c(OC)c(OC)c3)c(C#N)cc2c1.
What is the InChIKey of N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide?
The InChIKey is MOGWDYXRKFQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-30-18-6-7-19-15(11-18)10-17(14-25)23(28-19)26-8-5-9-27-24(29)16-12-20(31-2)22(33-4)21(13-16)32-3/h6-7,10-13H,5,8-9H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide?
N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide has a molecular weight of 450.50 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-6-methoxyquinolin-2-yl)amino]propyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 647126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).