3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

C27H26N4O4 — CID 170708311

IUPAC3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O[C@@H]4CCN(Cc5cnc6ccccc6c5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C27H26N4O4/c32-25-8-7-24(26(33)29-25)31-15-19-12-20(5-6-22(19)27(31)34)35-21-9-10-30(16-21)14-17-11-18-3-1-2-4-23(18)28-13-17/h1-6,11-13,21,24H,7-10,14-16H2,(H,29,32,33)/t21-,24?/m1/s1
InChIKeyTZZSSYQSYUGLOY-CILPGNKCSA-N
MW470.53 g/mol
LogP2.65
Rot. Bonds5

About 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170708311) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170708311
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O[C@@H]4CCN(Cc5cnc6ccccc6c5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C27H26N4O4/c32-25-8-7-24(26(33)29-25)31-15-19-12-20(5-6-22(19)27(31)34)35-21-9-10-30(16-21)14-17-11-18-3-1-2-4-23(18)28-13-17/h1-6,11-13,21,24H,7-10,14-16H2,(H,29,32,33)/t21-,24?/m1/s1
InChIKeyTZZSSYQSYUGLOY-CILPGNKCSA-N
XLogP2.65
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940573
3-[6-[(3S)-1-[(5-methylquinolin-3-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707849
(3S)-3-[6-[(3S)-1-(isoquinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174197860
3-[3-oxo-6-[(3S)-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196984
3-[6-[(3S)-1-[(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708354
3-[6-[methyl-[(3S)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708101
3-[6-[(3S)-1-(1,6-naphthyridin-7-ylmethyl)pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174196717
3-[6-[(3S)-1-[[2-(methylamino)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708071
3-[6-[(3S)-1-[[2-(oxan-4-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707886
(3R)-3-[6-[(3S)-1-[(2-morpholin-4-ylquinazolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170707772
3-[6-[(3S)-1-[(2-cyclohexylquinolin-6-yl)methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174288854
3-[3-oxo-6-[(3S)-1-[[2-(2-oxopiperidin-1-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170708173

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170708311) is 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(O[C@@H]4CCN(Cc5cnc6ccccc6c5)C4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is TZZSSYQSYUGLOY-CILPGNKCSA-N. The full InChI is InChI=1S/C27H26N4O4/c32-25-8-7-24(26(33)29-25)31-15-19-12-20(5-6-22(19)27(31)34)35-21-9-10-30(16-21)14-17-11-18-3-1-2-4-23(18)28-13-17/h1-6,11-13,21,24H,7-10,14-16H2,(H,29,32,33)/t21-,24?/m1/s1.
What are the key properties of 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 470.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[(3R)-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170708311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).