(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid

C17H18N2O4 — CID 124699307

IUPAC(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc2nc(C)c(C(=O)N3CCO[C@H](C(=O)O)C3)cc2c1
InChIInChI=1S/C17H18N2O4/c1-10-3-4-14-12(7-10)8-13(11(2)18-14)16(20)19-5-6-23-15(9-19)17(21)22/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyFDZLETCHITWBOQ-HNNXBMFYSA-N
MW314.34 g/mol
LogP1.78
Rot. Bonds2

About (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124699307) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID124699307
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc2nc(C)c(C(=O)N3CCO[C@H](C(=O)O)C3)cc2c1
InChIInChI=1S/C17H18N2O4/c1-10-3-4-14-12(7-10)8-13(11(2)18-14)16(20)19-5-6-23-15(9-19)17(21)22/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyFDZLETCHITWBOQ-HNNXBMFYSA-N
XLogP1.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(4aS,8aS)-7-(2,6-dimethylquinoline-3-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135114316
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 162637105

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid (CID 124699307) is (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid is Cc1ccc2nc(C)c(C(=O)N3CCO[C@H](C(=O)O)C3)cc2c1.
What is the InChIKey of (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is FDZLETCHITWBOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-3-4-14-12(7-10)8-13(11(2)18-14)16(20)19-5-6-23-15(9-19)17(21)22/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124699307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).