N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide

C17H22N2O2 — CID 94815036

IUPACN-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)N(C)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-4-7-13(2)18(3)17(21)12-19-11-10-16(20)14-8-5-6-9-15(14)19/h5-6,8-11,13H,4,7,12H2,1-3H3/t13-/m0/s1
InChIKeyBLMPNRKFFBZJBG-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

About N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide

N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 94815036) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
PubChem CID94815036
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)N(C)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-4-7-13(2)18(3)17(21)12-19-11-10-16(20)14-8-5-6-9-15(14)19/h5-6,8-11,13H,4,7,12H2,1-3H3/t13-/m0/s1
InChIKeyBLMPNRKFFBZJBG-ZDUSSCGKSA-N
XLogP2.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 52530325
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide
CID 91772391
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
CID 51095480
N-methyl-N-[(2S)-4-methylpentan-2-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 25348614
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627
N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 131905415
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
1-(2,2-diethoxyethyl)quinolin-4-one
CID 63628929

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide (CID 94815036) is N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)N(C)C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is BLMPNRKFFBZJBG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-7-13(2)18(3)17(21)12-19-11-10-16(20)14-8-5-6-9-15(14)19/h5-6,8-11,13H,4,7,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide?
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 94815036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).