N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide

C19H24N2O4 — CID 91772391

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide
SMILESCN(CC1(CO)CCOCC1)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-20(13-19(14-22)7-10-25-11-8-19)18(24)12-21-9-6-17(23)15-4-2-3-5-16(15)21/h2-6,9,22H,7-8,10-14H2,1H3
InChIKeyFUUPDOIESYKYKX-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.25
Rot. Bonds5

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 91772391) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID91772391
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide
SMILESCN(CC1(CO)CCOCC1)C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-20(13-19(14-22)7-10-25-11-8-19)18(24)12-21-9-6-17(23)15-4-2-3-5-16(15)21/h2-6,9,22H,7-8,10-14H2,1H3
InChIKeyFUUPDOIESYKYKX-UHFFFAOYSA-N
XLogP1.25
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 94815036
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
N-benzyl-N-methyl-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100742012
1-[2-[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]quinolin-4-one
CID 166314889
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-[[2-(4-oxoquinolin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538567
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 70707076
(2S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126427661
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-phenylspiro[2.4]heptane-2-carboxamide
CID 119060920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide (CID 91772391) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide is CN(CC1(CO)CCOCC1)C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is FUUPDOIESYKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20(13-19(14-22)7-10-25-11-8-19)18(24)12-21-9-6-17(23)15-4-2-3-5-16(15)21/h2-6,9,22H,7-8,10-14H2,1H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 91772391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).