[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate

C23H21ClN2O4 — CID 42486368

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H21ClN2O4/c24-18-9-3-2-8-17(18)20-14-25-21(30-20)11-12-23(28)29-15-22(27)26-13-5-7-16-6-1-4-10-19(16)26/h1-4,6,8-10,14H,5,7,11-13,15H2
InChIKeyXEPRNKNMGCXMEY-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.45
Rot. Bonds6

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 42486368) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID42486368
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H21ClN2O4/c24-18-9-3-2-8-17(18)20-14-25-21(30-20)11-12-23(28)29-15-22(27)26-13-5-7-16-6-1-4-10-19(16)26/h1-4,6,8-10,14H,5,7,11-13,15H2
InChIKeyXEPRNKNMGCXMEY-UHFFFAOYSA-N
XLogP4.45
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate (CID 42486368) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccccc2Cl)o1)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is XEPRNKNMGCXMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c24-18-9-3-2-8-17(18)20-14-25-21(30-20)11-12-23(28)29-15-22(27)26-13-5-7-16-6-1-4-10-19(16)26/h1-4,6,8-10,14H,5,7,11-13,15H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 424.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 42486368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).