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

C14H13N3O4 — CID 106902381

IUPAC1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C(=O)O)Cc3ccccc32)no1
InChIInChI=1S/C14H13N3O4/c1-8-15-12(16-21-8)13(18)17-7-10(14(19)20)6-9-4-2-3-5-11(9)17/h2-5,10H,6-7H2,1H3,(H,19,20)
InChIKeyPKTURFQOAXDYSC-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.28
Rot. Bonds2

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

1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902381) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902381
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C(=O)O)Cc3ccccc32)no1
InChIInChI=1S/C14H13N3O4/c1-8-15-12(16-21-8)13(18)17-7-10(14(19)20)6-9-4-2-3-5-11(9)17/h2-5,10H,6-7H2,1H3,(H,19,20)
InChIKeyPKTURFQOAXDYSC-UHFFFAOYSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylfuran-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902026
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
1-(piperidine-4-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901905
1-(2-methyloxolane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902441
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875
1-(oxane-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902245

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902381) is 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is Cc1nc(C(=O)N2CC(C(=O)O)Cc3ccccc32)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is PKTURFQOAXDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-15-12(16-21-8)13(18)17-7-10(14(19)20)6-9-4-2-3-5-11(9)17/h2-5,10H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).