4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide

C21H23N3O3 — CID 54690421

IUPAC4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-4-7-13-24-16-11-6-5-10-15(16)18(25)17(21(24)27)20(26)23-19-14(2)9-8-12-22-19/h5-6,8-12,25H,3-4,7,13H2,1-2H3,(H,22,23,26)
InChIKeyQEWJHHLAEUHATL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.85
Rot. Bonds6

About 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide

4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54690421) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54690421
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-4-7-13-24-16-11-6-5-10-15(16)18(25)17(21(24)27)20(26)23-19-14(2)9-8-12-22-19/h5-6,8-12,25H,3-4,7,13H2,1-2H3,(H,22,23,26)
InChIKeyQEWJHHLAEUHATL-UHFFFAOYSA-N
XLogP3.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide (CID 54690421) is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is QEWJHHLAEUHATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-4-7-13-24-16-11-6-5-10-15(16)18(25)17(21(24)27)20(26)23-19-14(2)9-8-12-22-19/h5-6,8-12,25H,3-4,7,13H2,1-2H3,(H,22,23,26).
What are the key properties of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide?
4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54690421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).