N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide

C21H24N2O3 — CID 16828121

IUPACN-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(2)13-23-19-10-9-17(12-16(19)8-11-21(23)25)22-20(24)14-26-18-6-4-3-5-7-18/h3-7,9-10,12,15H,8,11,13-14H2,1-2H3,(H,22,24)
InChIKeyXNHCGBWQFDIYII-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide

N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide (PubChem CID 16828121) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
PubChem CID16828121
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C21H24N2O3/c1-15(2)13-23-19-10-9-17(12-16(19)8-11-21(23)25)22-20(24)14-26-18-6-4-3-5-7-18/h3-7,9-10,12,15H,8,11,13-14H2,1-2H3,(H,22,24)
InChIKeyXNHCGBWQFDIYII-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
3,3-dimethyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]butanamide
CID 16927141
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-naphthalen-2-yloxyacetamide
CID 40946919
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 16826791
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]naphthalene-1-carboxamide
CID 16927149
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 16926877
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
N-methyl-2-[3-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoylamino]phenoxy]acetamide
CID 167803380
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide (CID 16828121) is N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide is CC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21.
What is the InChIKey of N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide?
The InChIKey is XNHCGBWQFDIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)13-23-19-10-9-17(12-16(19)8-11-21(23)25)22-20(24)14-26-18-6-4-3-5-7-18/h3-7,9-10,12,15H,8,11,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide?
N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide has a molecular weight of 352.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide is sourced from PubChem (CID 16828121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).