4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid

C18H20N2O4 — CID 126772920

IUPAC4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C18H20N2O4/c1-11-13-5-3-4-6-15(13)19-12(2)14(11)9-17(21)20-7-8-24-10-16(20)18(22)23/h3-6,16H,7-10H2,1-2H3,(H,22,23)
InChIKeyKXINNSXTVLGCRA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.71
Rot. Bonds3

About 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 126772920) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID126772920
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C18H20N2O4/c1-11-13-5-3-4-6-15(13)19-12(2)14(11)9-17(21)20-7-8-24-10-16(20)18(22)23/h3-6,16H,7-10H2,1-2H3,(H,22,23)
InChIKeyKXINNSXTVLGCRA-UHFFFAOYSA-N
XLogP1.71
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 95581661
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
4-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 119216342
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 25369883
4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
CID 95863044
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid (CID 126772920) is 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid is Cc1nc2ccccc2c(C)c1CC(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is KXINNSXTVLGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-13-5-3-4-6-15(13)19-12(2)14(11)9-17(21)20-7-8-24-10-16(20)18(22)23/h3-6,16H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 126772920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).