2-(1-adamantyl)-6-methylquinoline

C20H23N — CID 15992790

IUPAC2-(1-adamantyl)-6-methylquinoline
SMILESCc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C20H23N/c1-13-2-4-18-17(6-13)3-5-19(21-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16H,7-12H2,1H3
InChIKeyJXAGQZIIPOYKBW-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.01
Rot. Bonds1

About 2-(1-adamantyl)-6-methylquinoline

2-(1-adamantyl)-6-methylquinoline (PubChem CID 15992790) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-methylquinoline.

Molecular Properties

Compound Name2-(1-adamantyl)-6-methylquinoline
PubChem CID15992790
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name2-(1-adamantyl)-6-methylquinoline
SMILESCc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C20H23N/c1-13-2-4-18-17(6-13)3-5-19(21-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16H,7-12H2,1H3
InChIKeyJXAGQZIIPOYKBW-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-methylquinoline?
The IUPAC name of 2-(1-adamantyl)-6-methylquinoline (CID 15992790) is 2-(1-adamantyl)-6-methylquinoline.
What is the SMILES notation for 2-(1-adamantyl)-6-methylquinoline?
The canonical SMILES for 2-(1-adamantyl)-6-methylquinoline is Cc1ccc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1.
What is the InChIKey of 2-(1-adamantyl)-6-methylquinoline?
The InChIKey is JXAGQZIIPOYKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-13-2-4-18-17(6-13)3-5-19(21-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16H,7-12H2,1H3.
What are the key properties of 2-(1-adamantyl)-6-methylquinoline?
2-(1-adamantyl)-6-methylquinoline has a molecular weight of 277.41 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-methylquinoline is sourced from PubChem (CID 15992790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).