1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone

C18H22ClN3O2 — CID 67301675

IUPAC1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone
SMILESCOCCN1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13(23)15-12-16(19)14-4-3-5-20-17(14)18(15)22-8-6-21(7-9-22)10-11-24-2/h3-5,12H,6-11H2,1-2H3
InChIKeyQXESDORPMUSDJE-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.86
Rot. Bonds5

About 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone

1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone (PubChem CID 67301675) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone
PubChem CID67301675
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone
SMILESCOCCN1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C18H22ClN3O2/c1-13(23)15-12-16(19)14-4-3-5-20-17(14)18(15)22-8-6-21(7-9-22)10-11-24-2/h3-5,12H,6-11H2,1-2H3
InChIKeyQXESDORPMUSDJE-UHFFFAOYSA-N
XLogP2.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The IUPAC name of 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone (CID 67301675) is 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The canonical SMILES for 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone is COCCN1CCN(c2c(C(C)=O)cc(Cl)c3cccnc23)CC1.
What is the InChIKey of 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone?
The InChIKey is QXESDORPMUSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13(23)15-12-16(19)14-4-3-5-20-17(14)18(15)22-8-6-21(7-9-22)10-11-24-2/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone?
1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone has a molecular weight of 347.85 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-8-[4-(2-methoxyethyl)piperazin-1-yl]quinolin-7-yl]ethanone is sourced from PubChem (CID 67301675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).