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

C25H32N2O3 — CID 54683138

IUPACN-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccccc21
InChIInChI=1S/C25H32N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h4-5,7-8,16-18,28H,2-3,6,9-15H2,1H3,(H,26,29)
InChIKeyNDPSHCXYYXWNFI-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.60
Rot. Bonds6

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

N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54683138) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54683138
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccccc21
InChIInChI=1S/C25H32N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h4-5,7-8,16-18,28H,2-3,6,9-15H2,1H3,(H,26,29)
InChIKeyNDPSHCXYYXWNFI-UHFFFAOYSA-N
XLogP4.60
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.60
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 N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54683138) is N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccccc21.
What is the InChIKey of N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is NDPSHCXYYXWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h4-5,7-8,16-18,28H,2-3,6,9-15H2,1H3,(H,26,29).
What are the key properties of N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54683138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).