5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one

C19H23NO — CID 81230547

IUPAC5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)c2cccc3cccnc23)C(=O)C1
InChIInChI=1S/C19H23NO/c1-13-9-10-15(17(21)12-13)19(2,3)16-8-4-6-14-7-5-11-20-18(14)16/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyDFVIBIXJFCIWSB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.52
Rot. Bonds2

About 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one

5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one (PubChem CID 81230547) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one
PubChem CID81230547
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one
SMILESCC1CCC(C(C)(C)c2cccc3cccnc23)C(=O)C1
InChIInChI=1S/C19H23NO/c1-13-9-10-15(17(21)12-13)19(2,3)16-8-4-6-14-7-5-11-20-18(14)16/h4-8,11,13,15H,9-10,12H2,1-3H3
InChIKeyDFVIBIXJFCIWSB-UHFFFAOYSA-N
XLogP4.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one (CID 81230547) is 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one is CC1CCC(C(C)(C)c2cccc3cccnc23)C(=O)C1.
What is the InChIKey of 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one?
The InChIKey is DFVIBIXJFCIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-9-10-15(17(21)12-13)19(2,3)16-8-4-6-14-7-5-11-20-18(14)16/h4-8,11,13,15H,9-10,12H2,1-3H3.
What are the key properties of 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one?
5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-quinolin-8-ylpropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 81230547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).