4-(2-adamantyl)quinoline-2-carboxylic acid

C20H21NO2 — CID 3012204

IUPAC4-(2-adamantyl)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1
InChIInChI=1S/C20H21NO2/c22-20(23)18-10-16(15-3-1-2-4-17(15)21-18)19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,22,23)
InChIKeySIKAYOABLVZBRZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.47
Rot. Bonds2

About 4-(2-adamantyl)quinoline-2-carboxylic acid

4-(2-adamantyl)quinoline-2-carboxylic acid (PubChem CID 3012204) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(2-adamantyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-adamantyl)quinoline-2-carboxylic acid
PubChem CID3012204
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-(2-adamantyl)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1
InChIInChI=1S/C20H21NO2/c22-20(23)18-10-16(15-3-1-2-4-17(15)21-18)19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,22,23)
InChIKeySIKAYOABLVZBRZ-UHFFFAOYSA-N
XLogP4.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-adamantyl)quinoline-2-carboxylic acid (CID 3012204) is 4-(2-adamantyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-adamantyl)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-adamantyl)quinoline-2-carboxylic acid is O=C(O)c1cc(C2C3CC4CC(C3)CC2C4)c2ccccc2n1.
What is the InChIKey of 4-(2-adamantyl)quinoline-2-carboxylic acid?
The InChIKey is SIKAYOABLVZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(23)18-10-16(15-3-1-2-4-17(15)21-18)19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H,22,23).
What are the key properties of 4-(2-adamantyl)quinoline-2-carboxylic acid?
4-(2-adamantyl)quinoline-2-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 3012204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).