1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride

C19H26ClN3O3 — CID 54677128

IUPAC1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride
SMILESCCn1c(=O)c(C(=O)NCCN2CCCCC2)c(O)c2ccccc21.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-2-22-15-9-5-4-8-14(15)17(23)16(19(22)25)18(24)20-10-13-21-11-6-3-7-12-21;/h4-5,8-9,23H,2-3,6-7,10-13H2,1H3,(H,20,24);1H
InChIKeyVANLXRKCMHLRRD-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.36
Rot. Bonds5

About 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride

1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride (PubChem CID 54677128) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride
PubChem CID54677128
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride
SMILESCCn1c(=O)c(C(=O)NCCN2CCCCC2)c(O)c2ccccc21.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-2-22-15-9-5-4-8-14(15)17(23)16(19(22)25)18(24)20-10-13-21-11-6-3-7-12-21;/h4-5,8-9,23H,2-3,6-7,10-13H2,1H3,(H,20,24);1H
InChIKeyVANLXRKCMHLRRD-UHFFFAOYSA-N
XLogP2.36
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride (CID 54677128) is 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride is CCn1c(=O)c(C(=O)NCCN2CCCCC2)c(O)c2ccccc21.Cl.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride?
The InChIKey is VANLXRKCMHLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-2-22-15-9-5-4-8-14(15)17(23)16(19(22)25)18(24)20-10-13-21-11-6-3-7-12-21;/h4-5,8-9,23H,2-3,6-7,10-13H2,1H3,(H,20,24);1H.
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride?
1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54677128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).