3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid

C15H13NO4S — CID 114939866

IUPAC3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
SMILESO=C1CCc2ccc(OCc3ccsc3C(=O)O)cc2N1
InChIInChI=1S/C15H13NO4S/c17-13-4-2-9-1-3-11(7-12(9)16-13)20-8-10-5-6-21-14(10)15(18)19/h1,3,5-7H,2,4,8H2,(H,16,17)(H,18,19)
InChIKeyFDMMWTXKYLGJHR-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.91
Rot. Bonds4

About 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid

3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid (PubChem CID 114939866) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
PubChem CID114939866
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
SMILESO=C1CCc2ccc(OCc3ccsc3C(=O)O)cc2N1
InChIInChI=1S/C15H13NO4S/c17-13-4-2-9-1-3-11(7-12(9)16-13)20-8-10-5-6-21-14(10)15(18)19/h1,3,5-7H,2,4,8H2,(H,16,17)(H,18,19)
InChIKeyFDMMWTXKYLGJHR-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
7-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939921
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999
3-[(3,4-difluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63639331
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
tert-butyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoate
CID 68588682
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid (CID 114939866) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid is O=C1CCc2ccc(OCc3ccsc3C(=O)O)cc2N1.
What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is FDMMWTXKYLGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-13-4-2-9-1-3-11(7-12(9)16-13)20-8-10-5-6-21-14(10)15(18)19/h1,3,5-7H,2,4,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid?
3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).