N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide

C17H20N4O3 — CID 100829037

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COc2cccc3c2NC(=O)CC3)n(C)n1
InChIInChI=1S/C17H20N4O3/c1-11-8-13(21(2)20-11)9-18-16(23)10-24-14-5-3-4-12-6-7-15(22)19-17(12)14/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXKQCGDOGEFFHNI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.31
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide (PubChem CID 100829037) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
PubChem CID100829037
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COc2cccc3c2NC(=O)CC3)n(C)n1
InChIInChI=1S/C17H20N4O3/c1-11-8-13(21(2)20-11)9-18-16(23)10-24-14-5-3-4-12-6-7-15(22)19-17(12)14/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXKQCGDOGEFFHNI-UHFFFAOYSA-N
XLogP1.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide with MolForge

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Related Compounds

3-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetyl]amino]-N-propan-2-ylpropanamide
CID 100829038
N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 100829026
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138723
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704
8-(3-chloro-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540658
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide
CID 171132852
8-[5-(4-phenylpiperazin-1-yl)pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21243031

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide (CID 100829037) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide is Cc1cc(CNC(=O)COc2cccc3c2NC(=O)CC3)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide?
The InChIKey is XKQCGDOGEFFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-8-13(21(2)20-11)9-18-16(23)10-24-14-5-3-4-12-6-7-15(22)19-17(12)14/h3-5,8H,6-7,9-10H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide is sourced from PubChem (CID 100829037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).