N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

C26H24Cl2N2O — CID 3309301

IUPACN-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C26H24Cl2N2O/c27-18-5-6-20(22(28)10-18)24-11-21(19-3-1-2-4-23(19)29-24)25(31)30-26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17H,7-9,12-14H2,(H,30,31)
InChIKeyFOKSLEMYXVSENF-UHFFFAOYSA-N
MW451.40 g/mol
LogP6.91
Rot. Bonds3

About N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 3309301) has the molecular formula C26H24Cl2N2O and a molecular weight of 451.40 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
PubChem CID3309301
Molecular FormulaC26H24Cl2N2O
Molecular Weight451.40 g/mol
Exact Mass450.13
IUPAC NameN-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C26H24Cl2N2O/c27-18-5-6-20(22(28)10-18)24-11-21(19-3-1-2-4-23(19)29-24)25(31)30-26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17H,7-9,12-14H2,(H,30,31)
InChIKeyFOKSLEMYXVSENF-UHFFFAOYSA-N
XLogP6.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 4606140
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(2,4-dichlorophenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 3601091
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982
2-(2,4-dichlorophenyl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 3565307
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide
CID 134120732

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide (CID 3309301) is N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is FOKSLEMYXVSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O/c27-18-5-6-20(22(28)10-18)24-11-21(19-3-1-2-4-23(19)29-24)25(31)30-26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17H,7-9,12-14H2,(H,30,31).
What are the key properties of N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide?
N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 451.40 g/mol, XLogP of 6.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3309301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).