2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

C20H24ClN3O2 — CID 119622234

IUPAC2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)c2cccnc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H24ClN3O2/c21-17-5-6-18(20-16(17)2-1-9-22-20)26-13-19(25)24-10-7-15(8-11-24)23-12-14-3-4-14/h1-2,5-6,9,14-15,23H,3-4,7-8,10-13H2
InChIKeyQPBHQGHXIPZMRA-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.26
Rot. Bonds6

About 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (PubChem CID 119622234) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
PubChem CID119622234
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)c2cccnc12)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H24ClN3O2/c21-17-5-6-18(20-16(17)2-1-9-22-20)26-13-19(25)24-10-7-15(8-11-24)23-12-14-3-4-14/h1-2,5-6,9,14-15,23H,3-4,7-8,10-13H2
InChIKeyQPBHQGHXIPZMRA-UHFFFAOYSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 119409930
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 124611264
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
CID 120818102
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119621572
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119624635
2-(5-chloroquinolin-8-yl)oxy-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 55843773
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 119622438
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (CID 119622234) is 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is O=C(COc1ccc(Cl)c2cccnc12)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is QPBHQGHXIPZMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-5-6-18(20-16(17)2-1-9-22-20)26-13-19(25)24-10-7-15(8-11-24)23-12-14-3-4-14/h1-2,5-6,9,14-15,23H,3-4,7-8,10-13H2.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 373.88 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119622234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).