2-(2-adamantyl)-4-methylquinoline

C20H23N — CID 15956244

IUPAC2-(2-adamantyl)-4-methylquinoline
SMILESCc1cc(C2C3CC4CC(C3)CC2C4)nc2ccccc12
InChIInChI=1S/C20H23N/c1-12-6-19(21-18-5-3-2-4-17(12)18)20-15-8-13-7-14(10-15)11-16(20)9-13/h2-6,13-16,20H,7-11H2,1H3
InChIKeyQJFNEWKFKHYVSC-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.08
Rot. Bonds1

About 2-(2-adamantyl)-4-methylquinoline

2-(2-adamantyl)-4-methylquinoline (PubChem CID 15956244) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-adamantyl)-4-methylquinoline.

Molecular Properties

Compound Name2-(2-adamantyl)-4-methylquinoline
PubChem CID15956244
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name2-(2-adamantyl)-4-methylquinoline
SMILESCc1cc(C2C3CC4CC(C3)CC2C4)nc2ccccc12
InChIInChI=1S/C20H23N/c1-12-6-19(21-18-5-3-2-4-17(12)18)20-15-8-13-7-14(10-15)11-16(20)9-13/h2-6,13-16,20H,7-11H2,1H3
InChIKeyQJFNEWKFKHYVSC-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-4-methylquinoline?
The IUPAC name of 2-(2-adamantyl)-4-methylquinoline (CID 15956244) is 2-(2-adamantyl)-4-methylquinoline.
What is the SMILES notation for 2-(2-adamantyl)-4-methylquinoline?
The canonical SMILES for 2-(2-adamantyl)-4-methylquinoline is Cc1cc(C2C3CC4CC(C3)CC2C4)nc2ccccc12.
What is the InChIKey of 2-(2-adamantyl)-4-methylquinoline?
The InChIKey is QJFNEWKFKHYVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-12-6-19(21-18-5-3-2-4-17(12)18)20-15-8-13-7-14(10-15)11-16(20)9-13/h2-6,13-16,20H,7-11H2,1H3.
What are the key properties of 2-(2-adamantyl)-4-methylquinoline?
2-(2-adamantyl)-4-methylquinoline has a molecular weight of 277.41 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-4-methylquinoline is sourced from PubChem (CID 15956244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).