3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline

C18H24N2 — CID 15950548

IUPAC3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline
SMILESc1c(C23CC4CC(CC(C4)C2)C3)nnc2c1CCCC2
InChIInChI=1S/C18H24N2/c1-2-4-16-15(3-1)8-17(20-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h8,12-14H,1-7,9-11H2
InChIKeyUDSCVHKQYRMXTN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.82
Rot. Bonds1

About 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline

3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline (PubChem CID 15950548) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline
PubChem CID15950548
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline
SMILESc1c(C23CC4CC(CC(C4)C2)C3)nnc2c1CCCC2
InChIInChI=1S/C18H24N2/c1-2-4-16-15(3-1)8-17(20-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h8,12-14H,1-7,9-11H2
InChIKeyUDSCVHKQYRMXTN-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline (CID 15950548) is 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline is c1c(C23CC4CC(CC(C4)C2)C3)nnc2c1CCCC2.
What is the InChIKey of 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline?
The InChIKey is UDSCVHKQYRMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-4-16-15(3-1)8-17(20-19-16)18-9-12-5-13(10-18)7-14(6-12)11-18/h8,12-14H,1-7,9-11H2.
What are the key properties of 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline?
3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline has a molecular weight of 268.40 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 15950548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).