1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide

C20H27N3O3 — CID 54683762

IUPAC1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-2-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)21-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,24H,2-3,6-8,11-14H2,1H3,(H,21,25)
InChIKeyLEGUCRHWIWNSMY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.33
Rot. Bonds6

About 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide (PubChem CID 54683762) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
PubChem CID54683762
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccccc21
InChIInChI=1S/C20H27N3O3/c1-2-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)21-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,24H,2-3,6-8,11-14H2,1H3,(H,21,25)
InChIKeyLEGUCRHWIWNSMY-UHFFFAOYSA-N
XLogP2.33
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 20865333
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide (CID 54683762) is 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
The InChIKey is LEGUCRHWIWNSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)21-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,24H,2-3,6-8,11-14H2,1H3,(H,21,25).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.33, 6 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-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 54683762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).