N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C28H26N4O3 — CID 36912681

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C28H26N4O3/c1-31(27(34)19-35-24-13-14-25-21(16-24)12-15-26(33)29-25)17-22-18-32(23-10-6-3-7-11-23)30-28(22)20-8-4-2-5-9-20/h2-11,13-14,16,18H,12,15,17,19H2,1H3,(H,29,33)
InChIKeyPIQXYUKJVXPFAZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.46
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 36912681) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID36912681
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C28H26N4O3/c1-31(27(34)19-35-24-13-14-25-21(16-24)12-15-26(33)29-25)17-22-18-32(23-10-6-3-7-11-23)30-28(22)20-8-4-2-5-9-20/h2-11,13-14,16,18H,12,15,17,19H2,1H3,(H,29,33)
InChIKeyPIQXYUKJVXPFAZ-UHFFFAOYSA-N
XLogP4.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134039417
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55571831
N-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32919288
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32761392
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 29469726

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 36912681) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is PIQXYUKJVXPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-31(27(34)19-35-24-13-14-25-21(16-24)12-15-26(33)29-25)17-22-18-32(23-10-6-3-7-11-23)30-28(22)20-8-4-2-5-9-20/h2-11,13-14,16,18H,12,15,17,19H2,1H3,(H,29,33).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 466.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 36912681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).