N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

C17H22N2O3 — CID 111435585

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCC2(O)CCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-12-7-10-19(14-6-3-2-5-13(12)14)16(21)15(20)18-11-17(22)8-4-9-17/h2-3,5-6,12,22H,4,7-11H2,1H3,(H,18,20)
InChIKeyFFJOYNCBIJKYJS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.56
Rot. Bonds2

About N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (PubChem CID 111435585) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
PubChem CID111435585
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)NCC2(O)CCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-12-7-10-19(14-6-3-2-5-13(12)14)16(21)15(20)18-11-17(22)8-4-9-17/h2-3,5-6,12,22H,4,7-11H2,1H3,(H,18,20)
InChIKeyFFJOYNCBIJKYJS-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
CID 111536713
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677623
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119733429
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435771
N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
CID 97305910
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide (CID 111435585) is N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)NCC2(O)CCC2)c2ccccc21.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
The InChIKey is FFJOYNCBIJKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-7-10-19(14-6-3-2-5-13(12)14)16(21)15(20)18-11-17(22)8-4-9-17/h2-3,5-6,12,22H,4,7-11H2,1H3,(H,18,20).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111435585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).