3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide

C23H22N4O2 — CID 95744908

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide
SMILESCOc1ccc2cc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)cnc2c1
InChIInChI=1S/C23H22N4O2/c1-15-9-16(2)27(26-15)14-17-5-4-6-19(10-17)23(28)25-20-11-18-7-8-21(29-3)12-22(18)24-13-20/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeySHJYTDUTWWUPHZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.36
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide (PubChem CID 95744908) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide
PubChem CID95744908
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide
SMILESCOc1ccc2cc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)cnc2c1
InChIInChI=1S/C23H22N4O2/c1-15-9-16(2)27(26-15)14-17-5-4-6-19(10-17)23(28)25-20-11-18-7-8-21(29-3)12-22(18)24-13-20/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeySHJYTDUTWWUPHZ-UHFFFAOYSA-N
XLogP4.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide 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-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-(7-methoxyquinolin-3-yl)-4-phenylmethoxybenzamide
CID 95745112
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135614667
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35324318
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524002
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451177
N-(7-methoxyquinolin-3-yl)-4-phenylbenzamide
CID 95745146
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340747
2-benzoyl-N-(7-methoxyquinolin-3-yl)benzamide
CID 54773922
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide (CID 95744908) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide is COc1ccc2cc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)cnc2c1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide?
The InChIKey is SHJYTDUTWWUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-9-16(2)27(26-15)14-17-5-4-6-19(10-17)23(28)25-20-11-18-7-8-21(29-3)12-22(18)24-13-20/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide has a molecular weight of 386.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide is sourced from PubChem (CID 95744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).