(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C23H24N2O4 — CID 18101152

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OC(C(=O)N3CCCCC3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H24N2O4/c26-20-12-10-17-15-18(9-11-19(17)24-20)23(28)29-21(16-7-3-1-4-8-16)22(27)25-13-5-2-6-14-25/h1,3-4,7-9,11,15,21H,2,5-6,10,12-14H2,(H,24,26)
InChIKeySZQCQZOGQHIWSE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.48
Rot. Bonds4

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101152) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101152
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OC(C(=O)N3CCCCC3)c3ccccc3)ccc2N1
InChIInChI=1S/C23H24N2O4/c26-20-12-10-17-15-18(9-11-19(17)24-20)23(28)29-21(16-7-3-1-4-8-16)22(27)25-13-5-2-6-14-25/h1,3-4,7-9,11,15,21H,2,5-6,10,12-14H2,(H,24,26)
InChIKeySZQCQZOGQHIWSE-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-oxo-3H-phthalazine-1-carboxylate
CID 42883995
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7704107
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101152) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is O=C1CCc2cc(C(=O)OC(C(=O)N3CCCCC3)c3ccccc3)ccc2N1.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is SZQCQZOGQHIWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-20-12-10-17-15-18(9-11-19(17)24-20)23(28)29-21(16-7-3-1-4-8-16)22(27)25-13-5-2-6-14-25/h1,3-4,7-9,11,15,21H,2,5-6,10,12-14H2,(H,24,26).
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).