[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate

C17H17NO4 — CID 46670667

IUPAC[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
SMILESCC1CCc2ccccc2N1C(=O)COC(=O)c1ccoc1
InChIInChI=1S/C17H17NO4/c1-12-6-7-13-4-2-3-5-15(13)18(12)16(19)11-22-17(20)14-8-9-21-10-14/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyWGRKSXBBYGKSGU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds3

About [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate (PubChem CID 46670667) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
PubChem CID46670667
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate
SMILESCC1CCc2ccccc2N1C(=O)COC(=O)c1ccoc1
InChIInChI=1S/C17H17NO4/c1-12-6-7-13-4-2-3-5-15(13)18(12)16(19)11-22-17(20)14-8-9-21-10-14/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyWGRKSXBBYGKSGU-UHFFFAOYSA-N
XLogP2.80
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate (CID 46670667) is [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate is CC1CCc2ccccc2N1C(=O)COC(=O)c1ccoc1.
What is the InChIKey of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate?
The InChIKey is WGRKSXBBYGKSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-6-7-13-4-2-3-5-15(13)18(12)16(19)11-22-17(20)14-8-9-21-10-14/h2-5,8-10,12H,6-7,11H2,1H3.
What are the key properties of [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate?
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 46670667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).