(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C24H21N3O2 — CID 71496251

IUPAC(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3ncccc3c2)cc2ncccc12)[C@@H]1CNC(=O)C1
InChIInChI=1S/C24H21N3O2/c1-15(19-13-24(28)27-14-19)29-23-12-18(11-22-20(23)5-3-9-26-22)16-6-7-21-17(10-16)4-2-8-25-21/h2-12,15,19H,13-14H2,1H3,(H,27,28)/t15-,19+/m1/s1
InChIKeyVVFZKWRNJPYNAF-BEFAXECRSA-N
MW383.45 g/mol
LogP4.35
Rot. Bonds4

About (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 71496251) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID71496251
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc3ncccc3c2)cc2ncccc12)[C@@H]1CNC(=O)C1
InChIInChI=1S/C24H21N3O2/c1-15(19-13-24(28)27-14-19)29-23-12-18(11-22-20(23)5-3-9-26-22)16-6-7-21-17(10-16)4-2-8-25-21/h2-12,15,19H,13-14H2,1H3,(H,27,28)/t15-,19+/m1/s1
InChIKeyVVFZKWRNJPYNAF-BEFAXECRSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylsulfanylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122544044
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
(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
(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71495236
(4R)-4-[1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 162543515
(4R)-4-[2-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71240051
4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 149099758
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241970
4-[(1R)-1-[7-[4-[(2-methylidenepiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512460
4-[1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 76687132

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 71496251) is (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc3ncccc3c2)cc2ncccc12)[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is VVFZKWRNJPYNAF-BEFAXECRSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15(19-13-24(28)27-14-19)29-23-12-18(11-22-20(23)5-3-9-26-22)16-6-7-21-17(10-16)4-2-8-25-21/h2-12,15,19H,13-14H2,1H3,(H,27,28)/t15-,19+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
(4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 383.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-(7-quinolin-6-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71496251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).