cyclopropylmethyl 4-chloroquinoline-2-carboxylate

C14H12ClNO2 — CID 63839858

IUPACcyclopropylmethyl 4-chloroquinoline-2-carboxylate
SMILESO=C(OCC1CC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H12ClNO2/c15-11-7-13(14(17)18-8-9-5-6-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2
InChIKeyTZGJHEDAWPHMTO-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.45
Rot. Bonds3

About cyclopropylmethyl 4-chloroquinoline-2-carboxylate

cyclopropylmethyl 4-chloroquinoline-2-carboxylate (PubChem CID 63839858) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is cyclopropylmethyl 4-chloroquinoline-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-chloroquinoline-2-carboxylate
PubChem CID63839858
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Namecyclopropylmethyl 4-chloroquinoline-2-carboxylate
SMILESO=C(OCC1CC1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H12ClNO2/c15-11-7-13(14(17)18-8-9-5-6-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2
InChIKeyTZGJHEDAWPHMTO-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-chloroquinoline-2-carboxylate?
The IUPAC name of cyclopropylmethyl 4-chloroquinoline-2-carboxylate (CID 63839858) is cyclopropylmethyl 4-chloroquinoline-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-chloroquinoline-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-chloroquinoline-2-carboxylate is O=C(OCC1CC1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of cyclopropylmethyl 4-chloroquinoline-2-carboxylate?
The InChIKey is TZGJHEDAWPHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-11-7-13(14(17)18-8-9-5-6-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2.
What are the key properties of cyclopropylmethyl 4-chloroquinoline-2-carboxylate?
cyclopropylmethyl 4-chloroquinoline-2-carboxylate has a molecular weight of 261.71 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-chloroquinoline-2-carboxylate is sourced from PubChem (CID 63839858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).