2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C22H24ClN3O3 — CID 51133132

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCC2)o1
InChIInChI=1S/C22H24ClN3O3/c1-15-6-8-19(29-15)18(26-11-2-3-12-26)13-25-21(27)14-28-20-9-7-17(23)16-5-4-10-24-22(16)20/h4-10,18H,2-3,11-14H2,1H3,(H,25,27)
InChIKeyWVCDKZWXJVMYRN-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.12
Rot. Bonds7

About 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 51133132) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID51133132
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCC2)o1
InChIInChI=1S/C22H24ClN3O3/c1-15-6-8-19(29-15)18(26-11-2-3-12-26)13-25-21(27)14-28-20-9-7-17(23)16-5-4-10-24-22(16)20/h4-10,18H,2-3,11-14H2,1H3,(H,25,27)
InChIKeyWVCDKZWXJVMYRN-UHFFFAOYSA-N
XLogP4.12
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164100
2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
2-(2,4-dimethylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164117
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 51133132) is 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc(C(CNC(=O)COc2ccc(Cl)c3cccnc23)N2CCCC2)o1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is WVCDKZWXJVMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-15-6-8-19(29-15)18(26-11-2-3-12-26)13-25-21(27)14-28-20-9-7-17(23)16-5-4-10-24-22(16)20/h4-10,18H,2-3,11-14H2,1H3,(H,25,27).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 413.91 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 51133132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).