1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone

C23H25NO — CID 24759782

IUPAC1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO/c25-22(23-10-14-5-15(11-23)7-16(6-14)12-23)20-9-19(20)18-8-17-3-1-2-4-21(17)24-13-18/h1-4,8,13-16,19-20H,5-7,9-12H2
InChIKeyQZBYSJNCNQZJAB-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.12
Rot. Bonds3

About 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone

1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone (PubChem CID 24759782) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone
PubChem CID24759782
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25NO/c25-22(23-10-14-5-15(11-23)7-16(6-14)12-23)20-9-19(20)18-8-17-3-1-2-4-21(17)24-13-18/h1-4,8,13-16,19-20H,5-7,9-12H2
InChIKeyQZBYSJNCNQZJAB-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone?
The IUPAC name of 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone (CID 24759782) is 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone.
What is the SMILES notation for 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone?
The canonical SMILES for 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone is O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone?
The InChIKey is QZBYSJNCNQZJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c25-22(23-10-14-5-15(11-23)7-16(6-14)12-23)20-9-19(20)18-8-17-3-1-2-4-21(17)24-13-18/h1-4,8,13-16,19-20H,5-7,9-12H2.
What are the key properties of 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone?
1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone has a molecular weight of 331.46 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-quinolin-3-ylcyclopropyl)methanone is sourced from PubChem (CID 24759782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).