ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate

C23H23ClN2O3 — CID 2941427

IUPACethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C23H23ClN2O3/c1-2-29-23(28)16-10-12-26(13-11-16)21-20(15-6-4-3-5-7-15)18-14-17(24)8-9-19(18)25-22(21)27/h3-9,14,16H,2,10-13H2,1H3,(H,25,27)
InChIKeyAVCGHMCXAFCFJM-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.63
Rot. Bonds4

About ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate

ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate (PubChem CID 2941427) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate
PubChem CID2941427
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Nameethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C23H23ClN2O3/c1-2-29-23(28)16-10-12-26(13-11-16)21-20(15-6-4-3-5-7-15)18-14-17(24)8-9-19(18)25-22(21)27/h3-9,14,16H,2,10-13H2,1H3,(H,25,27)
InChIKeyAVCGHMCXAFCFJM-UHFFFAOYSA-N
XLogP4.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate (CID 2941427) is ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1.
What is the InChIKey of ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate?
The InChIKey is AVCGHMCXAFCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-2-29-23(28)16-10-12-26(13-11-16)21-20(15-6-4-3-5-7-15)18-14-17(24)8-9-19(18)25-22(21)27/h3-9,14,16H,2,10-13H2,1H3,(H,25,27).
What are the key properties of ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate?
ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate has a molecular weight of 410.90 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 2941427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).