4-(2-adamantyl)-N-butylquinoline-2-carboxamide

C24H30N2O — CID 5273600

IUPAC4-(2-adamantyl)-N-butylquinoline-2-carboxamide
SMILESCCCCNC(=O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1
InChIInChI=1S/C24H30N2O/c1-2-3-8-25-24(27)22-14-20(19-6-4-5-7-21(19)26-22)23-17-10-15-9-16(12-17)13-18(23)11-15/h4-7,14-18,23H,2-3,8-13H2,1H3,(H,25,27)
InChIKeyUZQYJFHKDIRREX-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.30
Rot. Bonds5

About 4-(2-adamantyl)-N-butylquinoline-2-carboxamide

4-(2-adamantyl)-N-butylquinoline-2-carboxamide (PubChem CID 5273600) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-(2-adamantyl)-N-butylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-adamantyl)-N-butylquinoline-2-carboxamide
PubChem CID5273600
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-(2-adamantyl)-N-butylquinoline-2-carboxamide
SMILESCCCCNC(=O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1
InChIInChI=1S/C24H30N2O/c1-2-3-8-25-24(27)22-14-20(19-6-4-5-7-21(19)26-22)23-17-10-15-9-16(12-17)13-18(23)11-15/h4-7,14-18,23H,2-3,8-13H2,1H3,(H,25,27)
InChIKeyUZQYJFHKDIRREX-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-pentylquinoline-2-carboxamide
CID 178088871
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
4-(6-chloro-1-methyl-2,3-didehydro-4H-pyridazin-2-ium-5-yl)-N-pentylquinoline-2-carboxamide
CID 178088841
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
N-butylquinazoline-4-carboxamide
CID 110702643
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-N-butylquinoline-2-carboxamide?
The IUPAC name of 4-(2-adamantyl)-N-butylquinoline-2-carboxamide (CID 5273600) is 4-(2-adamantyl)-N-butylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-adamantyl)-N-butylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-adamantyl)-N-butylquinoline-2-carboxamide is CCCCNC(=O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1.
What is the InChIKey of 4-(2-adamantyl)-N-butylquinoline-2-carboxamide?
The InChIKey is UZQYJFHKDIRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-3-8-25-24(27)22-14-20(19-6-4-5-7-21(19)26-22)23-17-10-15-9-16(12-17)13-18(23)11-15/h4-7,14-18,23H,2-3,8-13H2,1H3,(H,25,27).
What are the key properties of 4-(2-adamantyl)-N-butylquinoline-2-carboxamide?
4-(2-adamantyl)-N-butylquinoline-2-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-N-butylquinoline-2-carboxamide is sourced from PubChem (CID 5273600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).