methyl 2,8-dicyclopentylquinoline-4-carboxylate

C21H25NO2 — CID 3012207

IUPACmethyl 2,8-dicyclopentylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCC2)nc2c(C3CCCC3)cccc12
InChIInChI=1S/C21H25NO2/c1-24-21(23)18-13-19(15-9-4-5-10-15)22-20-16(11-6-12-17(18)20)14-7-2-3-8-14/h6,11-15H,2-5,7-10H2,1H3
InChIKeyWOJHTYHANUDMGN-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.34
Rot. Bonds3

About methyl 2,8-dicyclopentylquinoline-4-carboxylate

methyl 2,8-dicyclopentylquinoline-4-carboxylate (PubChem CID 3012207) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 2,8-dicyclopentylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,8-dicyclopentylquinoline-4-carboxylate
PubChem CID3012207
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl 2,8-dicyclopentylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C2CCCC2)nc2c(C3CCCC3)cccc12
InChIInChI=1S/C21H25NO2/c1-24-21(23)18-13-19(15-9-4-5-10-15)22-20-16(11-6-12-17(18)20)14-7-2-3-8-14/h6,11-15H,2-5,7-10H2,1H3
InChIKeyWOJHTYHANUDMGN-UHFFFAOYSA-N
XLogP5.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,8-dicyclopentylquinoline-4-carboxylate?
The IUPAC name of methyl 2,8-dicyclopentylquinoline-4-carboxylate (CID 3012207) is methyl 2,8-dicyclopentylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2,8-dicyclopentylquinoline-4-carboxylate?
The canonical SMILES for methyl 2,8-dicyclopentylquinoline-4-carboxylate is COC(=O)c1cc(C2CCCC2)nc2c(C3CCCC3)cccc12.
What is the InChIKey of methyl 2,8-dicyclopentylquinoline-4-carboxylate?
The InChIKey is WOJHTYHANUDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-21(23)18-13-19(15-9-4-5-10-15)22-20-16(11-6-12-17(18)20)14-7-2-3-8-14/h6,11-15H,2-5,7-10H2,1H3.
What are the key properties of methyl 2,8-dicyclopentylquinoline-4-carboxylate?
methyl 2,8-dicyclopentylquinoline-4-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,8-dicyclopentylquinoline-4-carboxylate is sourced from PubChem (CID 3012207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).