[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate

C22H18N4O3 — CID 108768759

IUPAC[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H18N4O3/c1-14-12-21(24-22(28)17-7-5-8-18(13-17)29-15(2)27)26(25-14)20-11-10-16-6-3-4-9-19(16)23-20/h3-13H,1-2H3,(H,24,28)
InChIKeyKUZSYUWTRULYFU-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.91
Rot. Bonds4

About [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate

[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate (PubChem CID 108768759) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
PubChem CID108768759
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)c1
InChIInChI=1S/C22H18N4O3/c1-14-12-21(24-22(28)17-7-5-8-18(13-17)29-15(2)27)26(25-14)20-11-10-16-6-3-4-9-19(16)23-20/h3-13H,1-2H3,(H,24,28)
InChIKeyKUZSYUWTRULYFU-UHFFFAOYSA-N
XLogP3.91
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate 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-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
[2-methoxy-4-[(E)-3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108768795
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797812
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
CID 108803165
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
CID 112772631
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927976
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate?
The IUPAC name of [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate (CID 108768759) is [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)c1.
What is the InChIKey of [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate?
The InChIKey is KUZSYUWTRULYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-12-21(24-22(28)17-7-5-8-18(13-17)29-15(2)27)26(25-14)20-11-10-16-6-3-4-9-19(16)23-20/h3-13H,1-2H3,(H,24,28).
What are the key properties of [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate?
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate has a molecular weight of 386.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 108768759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).