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

C22H22N4O3 — CID 134039417

IUPACN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N4O3/c1-25(13-16-12-23-26(14-16)18-5-3-2-4-6-18)22(28)15-29-19-8-9-20-17(11-19)7-10-21(27)24-20/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3,(H,24,27)
InChIKeyKGJMXKWSUUIWJW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.79
Rot. Bonds6

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

N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 134039417) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID134039417
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H22N4O3/c1-25(13-16-12-23-26(14-16)18-5-3-2-4-6-18)22(28)15-29-19-8-9-20-17(11-19)7-10-21(27)24-20/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3,(H,24,27)
InChIKeyKGJMXKWSUUIWJW-UHFFFAOYSA-N
XLogP2.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36912681
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 39019816
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950432
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
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 51934323
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 134039417) is N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KGJMXKWSUUIWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25(13-16-12-23-26(14-16)18-5-3-2-4-6-18)22(28)15-29-19-8-9-20-17(11-19)7-10-21(27)24-20/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3,(H,24,27).
What are the key properties of N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 134039417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).