2-(1-adamantyl)quinoline

C19H21N — CID 3122842

IUPAC2-(1-adamantyl)quinoline
SMILESc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C19H21N/c1-2-4-17-16(3-1)5-6-18(20-17)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2
InChIKeyGHHGYSPAIGTZGB-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.70
Rot. Bonds1

About 2-(1-adamantyl)quinoline

2-(1-adamantyl)quinoline (PubChem CID 3122842) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-adamantyl)quinoline.

Molecular Properties

Compound Name2-(1-adamantyl)quinoline
PubChem CID3122842
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-(1-adamantyl)quinoline
SMILESc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C19H21N/c1-2-4-17-16(3-1)5-6-18(20-17)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2
InChIKeyGHHGYSPAIGTZGB-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)quinoline?
The IUPAC name of 2-(1-adamantyl)quinoline (CID 3122842) is 2-(1-adamantyl)quinoline.
What is the SMILES notation for 2-(1-adamantyl)quinoline?
The canonical SMILES for 2-(1-adamantyl)quinoline is c1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1.
What is the InChIKey of 2-(1-adamantyl)quinoline?
The InChIKey is GHHGYSPAIGTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-4-17-16(3-1)5-6-18(20-17)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2.
What are the key properties of 2-(1-adamantyl)quinoline?
2-(1-adamantyl)quinoline has a molecular weight of 263.38 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)quinoline is sourced from PubChem (CID 3122842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).