4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C22H24N4O2 — CID 123843076

IUPAC4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC=Cc1c(-c2cc(OC(C)C3CNC(=O)C3)c3cccnc3c2)cnn1CC
InChIInChI=1S/C22H24N4O2/c1-4-20-18(13-25-26(20)5-2)15-9-19-17(7-6-8-23-19)21(10-15)28-14(3)16-11-22(27)24-12-16/h4,6-10,13-14,16H,1,5,11-12H2,2-3H3,(H,24,27)
InChIKeyMDTXAYHEQQWYMH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.66
Rot. Bonds6

About 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123843076) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123843076
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC=Cc1c(-c2cc(OC(C)C3CNC(=O)C3)c3cccnc3c2)cnn1CC
InChIInChI=1S/C22H24N4O2/c1-4-20-18(13-25-26(20)5-2)15-9-19-17(7-6-8-23-19)21(10-15)28-14(3)16-11-22(27)24-12-16/h4,6-10,13-14,16H,1,5,11-12H2,2-3H3,(H,24,27)
InChIKeyMDTXAYHEQQWYMH-UHFFFAOYSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 149099758
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71496251
(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71495236
(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122544044
3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one
CID 122512487
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241976
4-[(1R)-1-[7-[4-[(2-methylidenepiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512460
N-methyl-5-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]pyridine-2-carboxamide
CID 122512491
(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 162543515
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241970
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 159032055

Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 123843076) is 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C=Cc1c(-c2cc(OC(C)C3CNC(=O)C3)c3cccnc3c2)cnn1CC.
What is the InChIKey of 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MDTXAYHEQQWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-20-18(13-25-26(20)5-2)15-9-19-17(7-6-8-23-19)21(10-15)28-14(3)16-11-22(27)24-12-16/h4,6-10,13-14,16H,1,5,11-12H2,2-3H3,(H,24,27).
What are the key properties of 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).