N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C25H24N4O5 — CID 166409693

IUPACN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)CC(C(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c2ccccc21
InChIInChI=1S/C25H24N4O5/c1-28-19-5-3-2-4-16(19)18(11-22(28)31)23(32)26-12-14-6-7-15-13-29(25(34)17(15)10-14)20-8-9-21(30)27-24(20)33/h2-7,10,18,20H,8-9,11-13H2,1H3,(H,26,32)(H,27,30,33)
InChIKeyFDUWJBJLYSOVRL-UHFFFAOYSA-N
MW460.49 g/mol
LogP1.21
Rot. Bonds4

About N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 166409693) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID166409693
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)CC(C(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c2ccccc21
InChIInChI=1S/C25H24N4O5/c1-28-19-5-3-2-4-16(19)18(11-22(28)31)23(32)26-12-14-6-7-15-13-29(25(34)17(15)10-14)20-8-9-21(30)27-24(20)33/h2-7,10,18,20H,8-9,11-13H2,1H3,(H,26,32)(H,27,30,33)
InChIKeyFDUWJBJLYSOVRL-UHFFFAOYSA-N
XLogP1.21
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[5-[[2-(ethylaminomethyl)anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716877
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 166425784
3-[5-[[(3-amino-2,2,4,4-tetramethylcyclobutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718424
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-1-[2-(methylamino)ethyl]urea;hydrochloride
CID 167986460
(3-methoxycyclobutyl) N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 175885219
(2,2-difluorocyclobutyl)methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 170268583
3-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732964
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[(2-methoxyphenyl)methyl]carbamate
CID 164584006
1,3-benzothiazol-2-ylmethyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 176717831
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[3-oxo-5-[(quinolin-4-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166426797

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 166409693) is N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is CN1C(=O)CC(C(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c2ccccc21.
What is the InChIKey of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is FDUWJBJLYSOVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-28-19-5-3-2-4-16(19)18(11-22(28)31)23(32)26-12-14-6-7-15-13-29(25(34)17(15)10-14)20-8-9-21(30)27-24(20)33/h2-7,10,18,20H,8-9,11-13H2,1H3,(H,26,32)(H,27,30,33).
What are the key properties of N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 166409693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).