1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol

C19H23NO — CID 115401286

IUPAC1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1cccc2cccnc12
InChIInChI=1S/C19H23NO/c1-17(2)14-9-10-18(3,12-14)19(17,21)15-8-4-6-13-7-5-11-20-16(13)15/h4-8,11,14,21H,9-10,12H2,1-3H3
InChIKeyVGQKPFZOBIPLJQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.27
Rot. Bonds1

About 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 115401286) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID115401286
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1cccc2cccnc12
InChIInChI=1S/C19H23NO/c1-17(2)14-9-10-18(3,12-14)19(17,21)15-8-4-6-13-7-5-11-20-16(13)15/h4-8,11,14,21H,9-10,12H2,1-3H3
InChIKeyVGQKPFZOBIPLJQ-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol (CID 115401286) is 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)c1cccc2cccnc12.
What is the InChIKey of 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is VGQKPFZOBIPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-17(2)14-9-10-18(3,12-14)19(17,21)15-8-4-6-13-7-5-11-20-16(13)15/h4-8,11,14,21H,9-10,12H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).