2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

C20H24N4O3S — CID 86953665

IUPAC2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C20H24N4O3S/c25-18-6-3-14-11-16(4-5-17(14)23-18)27-12-19(26)21-8-7-15-13-28-20(22-15)24-9-1-2-10-24/h4-5,11,13H,1-3,6-10,12H2,(H,21,26)(H,23,25)
InChIKeyHHCPIGJSYMCPMK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.37
Rot. Bonds7

About 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 86953665) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID86953665
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C20H24N4O3S/c25-18-6-3-14-11-16(4-5-17(14)23-18)27-12-19(26)21-8-7-15-13-28-20(22-15)24-9-1-2-10-24/h4-5,11,13H,1-3,6-10,12H2,(H,21,26)(H,23,25)
InChIKeyHHCPIGJSYMCPMK-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 39997989
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
CID 71936315
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774
6-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652390
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 86953665) is 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(COc1ccc2c(c1)CCC(=O)N2)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is HHCPIGJSYMCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-18-6-3-14-11-16(4-5-17(14)23-18)27-12-19(26)21-8-7-15-13-28-20(22-15)24-9-1-2-10-24/h4-5,11,13H,1-3,6-10,12H2,(H,21,26)(H,23,25).
What are the key properties of 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 86953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).