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

C22H24N2O3 — CID 54684061

IUPAC4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-9-14-24-18-13-8-6-11-16(18)20(25)19(22(24)27)21(26)23-17-12-7-5-10-15(17)2/h5-8,10-13,25H,3-4,9,14H2,1-2H3,(H,23,26)
InChIKeyNCLRHYSQFMBIAO-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.46
Rot. Bonds6

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

4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54684061) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54684061
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-9-14-24-18-13-8-6-11-16(18)20(25)19(22(24)27)21(26)23-17-12-7-5-10-15(17)2/h5-8,10-13,25H,3-4,9,14H2,1-2H3,(H,23,26)
InChIKeyNCLRHYSQFMBIAO-UHFFFAOYSA-N
XLogP4.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide (CID 54684061) is 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is NCLRHYSQFMBIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-9-14-24-18-13-8-6-11-16(18)20(25)19(22(24)27)21(26)23-17-12-7-5-10-15(17)2/h5-8,10-13,25H,3-4,9,14H2,1-2H3,(H,23,26).
What are the key properties of 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54684061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).