N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide

C22H26N2O2 — CID 90624110

IUPACN-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc3ccccc3n2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2O2/c1-26-22(17-9-14-8-15(11-17)12-18(22)10-14)13-23-21(25)20-7-6-16-4-2-3-5-19(16)24-20/h2-7,14-15,17-18H,8-13H2,1H3,(H,23,25)
InChIKeyKQRQBSBTSYTIEE-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.81
Rot. Bonds4

About N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide

N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide (PubChem CID 90624110) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide
PubChem CID90624110
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide
SMILESCOC1(CNC(=O)c2ccc3ccccc3n2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2O2/c1-26-22(17-9-14-8-15(11-17)12-18(22)10-14)13-23-21(25)20-7-6-16-4-2-3-5-19(16)24-20/h2-7,14-15,17-18H,8-13H2,1H3,(H,23,25)
InChIKeyKQRQBSBTSYTIEE-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 72719721
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide (CID 90624110) is N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide is COC1(CNC(=O)c2ccc3ccccc3n2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide?
The InChIKey is KQRQBSBTSYTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-22(17-9-14-8-15(11-17)12-18(22)10-14)13-23-21(25)20-7-6-16-4-2-3-5-19(16)24-20/h2-7,14-15,17-18H,8-13H2,1H3,(H,23,25).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide?
N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 90624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).