ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate

C24H25FN4O3 — CID 24733632

IUPACethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C24H25FN4O3/c1-2-32-22(30)16-26-24(31)29-14-12-28(13-15-29)21-11-10-17-6-5-8-19(23(17)27-21)18-7-3-4-9-20(18)25/h3-11H,2,12-16H2,1H3,(H,26,31)
InChIKeyNAYQQYGEVYDDKQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate

ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate (PubChem CID 24733632) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
PubChem CID24733632
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Nameethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C24H25FN4O3/c1-2-32-22(30)16-26-24(31)29-14-12-28(13-15-29)21-11-10-17-6-5-8-19(23(17)27-21)18-7-3-4-9-20(18)25/h3-11H,2,12-16H2,1H3,(H,26,31)
InChIKeyNAYQQYGEVYDDKQ-UHFFFAOYSA-N
XLogP3.44
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate (CID 24733632) is ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1.
What is the InChIKey of ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate?
The InChIKey is NAYQQYGEVYDDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-2-32-22(30)16-26-24(31)29-14-12-28(13-15-29)21-11-10-17-6-5-8-19(23(17)27-21)18-7-3-4-9-20(18)25/h3-11H,2,12-16H2,1H3,(H,26,31).
What are the key properties of ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate?
ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate has a molecular weight of 436.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 24733632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).