(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C22H23N3O2S — CID 122544044

IUPAC(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCSCc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H23N3O2S/c1-14(17-10-22(26)25-12-17)27-21-9-16(8-20-19(21)4-3-7-23-20)15-5-6-18(13-28-2)24-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,25,26)/t14-,17-/m1/s1
InChIKeyBOACHGHHQBGKGZ-RHSMWYFYSA-N
MW393.51 g/mol
LogP4.06
Rot. Bonds6

About (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 122544044) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID122544044
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCSCc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1
InChIInChI=1S/C22H23N3O2S/c1-14(17-10-22(26)25-12-17)27-21-9-16(8-20-19(21)4-3-7-23-20)15-5-6-18(13-28-2)24-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,25,26)/t14-,17-/m1/s1
InChIKeyBOACHGHHQBGKGZ-RHSMWYFYSA-N
XLogP4.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71496251
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241976
N-methyl-5-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]pyridine-2-carboxamide
CID 122512491
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241970
(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71495236
3-methyl-7-[5-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]quinolin-7-yl]quinazolin-4-one
CID 122512487
4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 149099758
4-[(1R)-1-[7-[4-[(2-methylidenepiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512460
(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 162543515
4-[1-[7-(5-ethenyl-1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 123843076
(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 (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 122544044) is (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CSCc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is BOACHGHHQBGKGZ-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14(17-10-22(26)25-12-17)27-21-9-16(8-20-19(21)4-3-7-23-20)15-5-6-18(13-28-2)24-11-15/h3-9,11,14,17H,10,12-13H2,1-2H3,(H,25,26)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 393.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[6-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122544044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).