methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate

C20H23NO2 — CID 24747789

IUPACmethyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c3c(c2c1)CCC3
InChIInChI=1S/C20H23NO2/c1-23-20(22)14-10-11-18-17(12-14)15-8-5-9-16(15)19(21-18)13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyDLFOWOMJDFYXPC-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.56
Rot. Bonds2

About methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate

methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate (PubChem CID 24747789) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate
PubChem CID24747789
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c3c(c2c1)CCC3
InChIInChI=1S/C20H23NO2/c1-23-20(22)14-10-11-18-17(12-14)15-8-5-9-16(15)19(21-18)13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyDLFOWOMJDFYXPC-UHFFFAOYSA-N
XLogP4.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate?
The IUPAC name of methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate (CID 24747789) is methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate.
What is the SMILES notation for methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate?
The canonical SMILES for methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate is COC(=O)c1ccc2nc(C3CCCCC3)c3c(c2c1)CCC3.
What is the InChIKey of methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate?
The InChIKey is DLFOWOMJDFYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-20(22)14-10-11-18-17(12-14)15-8-5-9-16(15)19(21-18)13-6-3-2-4-7-13/h10-13H,2-9H2,1H3.
What are the key properties of methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate?
methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexyl-2,3-dihydro-1H-cyclopenta[c]quinoline-8-carboxylate is sourced from PubChem (CID 24747789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).