1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

C22H25N3O3 — CID 54679655

IUPAC1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-4-5-8-14-25-17-12-7-6-11-16(17)19(26)18(22(25)28)21(27)24-20-15(2)10-9-13-23-20/h6-7,9-13,26H,3-5,8,14H2,1-2H3,(H,23,24,27)
InChIKeyZICGDFYUEAERLF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.24
Rot. Bonds7

About 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide

1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54679655) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
PubChem CID54679655
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-4-5-8-14-25-17-12-7-6-11-16(17)19(26)18(22(25)28)21(27)24-20-15(2)10-9-13-23-20/h6-7,9-13,26H,3-5,8,14H2,1-2H3,(H,23,24,27)
InChIKeyZICGDFYUEAERLF-UHFFFAOYSA-N
XLogP4.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.24
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 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide (CID 54679655) is 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is CCCCCCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21.
What is the InChIKey of 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is ZICGDFYUEAERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-4-5-8-14-25-17-12-7-6-11-16(17)19(26)18(22(25)28)21(27)24-20-15(2)10-9-13-23-20/h6-7,9-13,26H,3-5,8,14H2,1-2H3,(H,23,24,27).
What are the key properties of 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide?
1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).