cyclopentylmethyl 4-chloroquinoline-2-carboxylate

C16H16ClNO2 — CID 66323375

IUPACcyclopentylmethyl 4-chloroquinoline-2-carboxylate
SMILESO=C(OCC1CCCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H16ClNO2/c17-13-9-15(18-14-8-4-3-7-12(13)14)16(19)20-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyQUJAYZVUVXMTJX-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.24
Rot. Bonds3

About cyclopentylmethyl 4-chloroquinoline-2-carboxylate

cyclopentylmethyl 4-chloroquinoline-2-carboxylate (PubChem CID 66323375) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is cyclopentylmethyl 4-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-chloroquinoline-2-carboxylate
PubChem CID66323375
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namecyclopentylmethyl 4-chloroquinoline-2-carboxylate
SMILESO=C(OCC1CCCC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H16ClNO2/c17-13-9-15(18-14-8-4-3-7-12(13)14)16(19)20-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyQUJAYZVUVXMTJX-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-chloroquinoline-2-carboxylate?
The IUPAC name of cyclopentylmethyl 4-chloroquinoline-2-carboxylate (CID 66323375) is cyclopentylmethyl 4-chloroquinoline-2-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-chloroquinoline-2-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-chloroquinoline-2-carboxylate is O=C(OCC1CCCC1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of cyclopentylmethyl 4-chloroquinoline-2-carboxylate?
The InChIKey is QUJAYZVUVXMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-9-15(18-14-8-4-3-7-12(13)14)16(19)20-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2.
What are the key properties of cyclopentylmethyl 4-chloroquinoline-2-carboxylate?
cyclopentylmethyl 4-chloroquinoline-2-carboxylate has a molecular weight of 289.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-chloroquinoline-2-carboxylate is sourced from PubChem (CID 66323375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).