2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide

C23H25N3O3 — CID 34982278

IUPAC2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
SMILESCOc1ccc(OC)c(CN(CC(=O)Nc2cccc3ncccc23)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-28-18-10-11-22(29-2)16(13-18)14-26(17-8-9-17)15-23(27)25-21-7-3-6-20-19(21)5-4-12-24-20/h3-7,10-13,17H,8-9,14-15H2,1-2H3,(H,25,27)
InChIKeyXTTZLKOKFVEEMR-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.86
Rot. Bonds8

About 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide

2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide (PubChem CID 34982278) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
PubChem CID34982278
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
SMILESCOc1ccc(OC)c(CN(CC(=O)Nc2cccc3ncccc23)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-28-18-10-11-22(29-2)16(13-18)14-26(17-8-9-17)15-23(27)25-21-7-3-6-20-19(21)5-4-12-24-20/h3-7,10-13,17H,8-9,14-15H2,1-2H3,(H,25,27)
InChIKeyXTTZLKOKFVEEMR-UHFFFAOYSA-N
XLogP3.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-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-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 34980681
3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 34982405
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide (CID 34982278) is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide is COc1ccc(OC)c(CN(CC(=O)Nc2cccc3ncccc23)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide?
The InChIKey is XTTZLKOKFVEEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-18-10-11-22(29-2)16(13-18)14-26(17-8-9-17)15-23(27)25-21-7-3-6-20-19(21)5-4-12-24-20/h3-7,10-13,17H,8-9,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide?
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 34982278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).