5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C15H16N2O4 — CID 107427196

IUPAC5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1Cc2ccccc2N(C(=O)C2CC(C(=O)O)=NO2)C1
InChIInChI=1S/C15H16N2O4/c1-9-6-10-4-2-3-5-12(10)17(8-9)14(18)13-7-11(15(19)20)16-21-13/h2-5,9,13H,6-8H2,1H3,(H,19,20)
InChIKeyYYHQMKJZDMOSTK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.44
Rot. Bonds2

About 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427196) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427196
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1Cc2ccccc2N(C(=O)C2CC(C(=O)O)=NO2)C1
InChIInChI=1S/C15H16N2O4/c1-9-6-10-4-2-3-5-12(10)17(8-9)14(18)13-7-11(15(19)20)16-21-13/h2-5,9,13H,6-8H2,1H3,(H,19,20)
InChIKeyYYHQMKJZDMOSTK-UHFFFAOYSA-N
XLogP1.44
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid with MolForge

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Related Compounds

(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-morpholin-2-ylmethanone
CID 63522121
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 63526190
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110662911
2-methyl-2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55195653
4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 78942007
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 63526013

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427196) is 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC1Cc2ccccc2N(C(=O)C2CC(C(=O)O)=NO2)C1.
What is the InChIKey of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is YYHQMKJZDMOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-6-10-4-2-3-5-12(10)17(8-9)14(18)13-7-11(15(19)20)16-21-13/h2-5,9,13H,6-8H2,1H3,(H,19,20).
What are the key properties of 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).