N-(1-adamantyl)quinoline-2-carboxamide

C20H22N2O — CID 2851338

IUPACN-(1-adamantyl)quinoline-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1
InChIInChI=1S/C20H22N2O/c23-19(18-6-5-16-3-1-2-4-17(16)21-18)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H,22,23)
InChIKeyJRSHTOGGDUKFMC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.93
Rot. Bonds2

About N-(1-adamantyl)quinoline-2-carboxamide

N-(1-adamantyl)quinoline-2-carboxamide (PubChem CID 2851338) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1-adamantyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)quinoline-2-carboxamide
PubChem CID2851338
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(1-adamantyl)quinoline-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1
InChIInChI=1S/C20H22N2O/c23-19(18-6-5-16-3-1-2-4-17(16)21-18)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H,22,23)
InChIKeyJRSHTOGGDUKFMC-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)quinoline-2-carboxamide?
The IUPAC name of N-(1-adamantyl)quinoline-2-carboxamide (CID 2851338) is N-(1-adamantyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)quinoline-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1.
What is the InChIKey of N-(1-adamantyl)quinoline-2-carboxamide?
The InChIKey is JRSHTOGGDUKFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19(18-6-5-16-3-1-2-4-17(16)21-18)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H,22,23).
What are the key properties of N-(1-adamantyl)quinoline-2-carboxamide?
N-(1-adamantyl)quinoline-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)quinoline-2-carboxamide is sourced from PubChem (CID 2851338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).