About N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 59484539) has the molecular formula C29H34ClN5O2
and a molecular weight of 520.08 g/mol. Its IUPAC name is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.
Molecular Properties
| Compound Name | N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide |
|---|
| PubChem CID | 59484539 |
|---|
| Molecular Formula | C29H34ClN5O2 |
|---|
| Molecular Weight | 520.08 g/mol |
|---|
| Exact Mass | 519.24 |
|---|
| IUPAC Name | N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide |
|---|
| SMILES | Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CN(CC(C)C)C(=O)C(C)C)c2n1 |
|---|
| InChI | InChI=1S/C29H34ClN5O2/c1-18(2)15-35(29(36)19(3)4)16-21-13-31-14-25(30)24(21)17-37-27-9-7-8-22-23(12-20(5)33-28(22)27)26-10-11-32-34(26)6/h7-14,18-19H,15-17H2,1-6H3 |
|---|
| InChIKey | RPNONIQIEHEKCV-UHFFFAOYSA-N |
|---|
| XLogP | 6.21 |
|---|
| TPSA | 73.14 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 520.08 |
| LogP ≤ 5 | 6.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide 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-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 59484539) is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CN(CC(C)C)C(=O)C(C)C)c2n1.
What is the InChIKey of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is RPNONIQIEHEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O2/c1-18(2)15-35(29(36)19(3)4)16-21-13-31-14-25(30)24(21)17-37-27-9-7-8-22-23(12-20(5)33-28(22)27)26-10-11-32-34(26)6/h7-14,18-19H,15-17H2,1-6H3.
What are the key properties of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 520.08 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 59484539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).