3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione

C23H30N2O5 — CID 167015017

IUPAC3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
SMILESC=C(CCCCCC(O)O)c1ccc2c(c1)C(C)CC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H30N2O5/c1-14(6-4-3-5-7-22(28)29)16-8-9-18-17(13-16)15(2)12-21(27)25(18)19-10-11-20(26)24-23(19)30/h8-9,13,15,19,22,28-29H,1,3-7,10-12H2,2H3,(H,24,26,30)
InChIKeyYFFULFNTEGTUBP-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.61
Rot. Bonds8

About 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione

3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione (PubChem CID 167015017) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
PubChem CID167015017
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
SMILESC=C(CCCCCC(O)O)c1ccc2c(c1)C(C)CC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H30N2O5/c1-14(6-4-3-5-7-22(28)29)16-8-9-18-17(13-16)15(2)12-21(27)25(18)19-10-11-20(26)24-23(19)30/h8-9,13,15,19,22,28-29H,1,3-7,10-12H2,2H3,(H,24,26,30)
InChIKeyYFFULFNTEGTUBP-UHFFFAOYSA-N
XLogP2.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155036962
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
CID 166993656
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 162504449
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
6-[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoic acid
CID 175555281
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
CID 170693844
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione (CID 167015017) is 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione is C=C(CCCCCC(O)O)c1ccc2c(c1)C(C)CC(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The InChIKey is YFFULFNTEGTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-14(6-4-3-5-7-22(28)29)16-8-9-18-17(13-16)15(2)12-21(27)25(18)19-10-11-20(26)24-23(19)30/h8-9,13,15,19,22,28-29H,1,3-7,10-12H2,2H3,(H,24,26,30).
What are the key properties of 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione has a molecular weight of 414.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(8,8-dihydroxyoct-1-en-2-yl)-4-methyl-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167015017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).