ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate

C19H23ClN2O3 — CID 141190210

IUPACethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCCCC3)cc2c1=O
InChIInChI=1S/C19H23ClN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-17(15(20)11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3
InChIKeyQNDFNMHVIXEKPG-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.84
Rot. Bonds4

About ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate

ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate (PubChem CID 141190210) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
PubChem CID141190210
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Nameethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCCCC3)cc2c1=O
InChIInChI=1S/C19H23ClN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-17(15(20)11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3
InChIKeyQNDFNMHVIXEKPG-UHFFFAOYSA-N
XLogP3.84
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate (CID 141190210) is ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(Cl)c(N3CCCCC3)cc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate?
The InChIKey is QNDFNMHVIXEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-3-21-12-14(19(24)25-4-2)18(23)13-10-17(15(20)11-16(13)21)22-8-6-5-7-9-22/h10-12H,3-9H2,1-2H3.
What are the key properties of ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate?
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate has a molecular weight of 362.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 141190210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).