methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate

C19H21ClN2O3 — CID 58368623

IUPACmethyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C19H21ClN2O3/c1-12(23)15-11-16(20)14-4-3-7-21-18(14)19(15)22-8-5-13(6-9-22)10-17(24)25-2/h3-4,7,11,13H,5-6,8-10H2,1-2H3
InChIKeyANKHZRUGJOAAPM-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.87
Rot. Bonds4

About methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate

methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate (PubChem CID 58368623) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate
PubChem CID58368623
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Namemethyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C19H21ClN2O3/c1-12(23)15-11-16(20)14-4-3-7-21-18(14)19(15)22-8-5-13(6-9-22)10-17(24)25-2/h3-4,7,11,13H,5-6,8-10H2,1-2H3
InChIKeyANKHZRUGJOAAPM-UHFFFAOYSA-N
XLogP3.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate (CID 58368623) is methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate is COC(=O)CC1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1.
What is the InChIKey of methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate?
The InChIKey is ANKHZRUGJOAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(23)15-11-16(20)14-4-3-7-21-18(14)19(15)22-8-5-13(6-9-22)10-17(24)25-2/h3-4,7,11,13H,5-6,8-10H2,1-2H3.
What are the key properties of methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate?
methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate has a molecular weight of 360.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(7-acetyl-5-chloroquinolin-8-yl)piperidin-4-yl]acetate is sourced from PubChem (CID 58368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).