N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C20H26N2O — CID 59658231

IUPACN-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc2N1
InChIInChI=1S/C20H26N2O/c23-20(18-6-5-14-3-1-2-4-17(14)21-18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19,21H,5-11H2,(H,22,23)
InChIKeyUOZFBZLBHRBEGR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.35
Rot. Bonds2

About N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 59658231) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID59658231
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc2N1
InChIInChI=1S/C20H26N2O/c23-20(18-6-5-14-3-1-2-4-17(14)21-18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19,21H,5-11H2,(H,22,23)
InChIKeyUOZFBZLBHRBEGR-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 59658231) is N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CCc2ccccc2N1.
What is the InChIKey of N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is UOZFBZLBHRBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-20(18-6-5-14-3-1-2-4-17(14)21-18)22-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,18-19,21H,5-11H2,(H,22,23).
What are the key properties of N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 59658231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).