N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide

C28H38N2O2 — CID 25034551

IUPACN-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
InChIKeyKUMKLUDNETVLDS-UHFFFAOYSA-N
MW434.62 g/mol
LogP6.01
Rot. Bonds7

About N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide

N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide (PubChem CID 25034551) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
PubChem CID25034551
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC NameN-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21
InChIInChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
InChIKeyKUMKLUDNETVLDS-UHFFFAOYSA-N
XLogP6.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide (CID 25034551) is N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)ccc21.
What is the InChIKey of N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide?
The InChIKey is KUMKLUDNETVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32).
What are the key properties of N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide?
N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide has a molecular weight of 434.62 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 25034551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).