4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H23N5O5 — CID 166426119

IUPAC4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)N(C(=O)CNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCC2
InChIInChI=1S/C24H23N5O5/c25-14-7-6-13-3-2-10-28(18(13)11-14)20(31)12-26-16-5-1-4-15-21(16)24(34)29(23(15)33)17-8-9-19(30)27-22(17)32/h1,4-7,11,17,26H,2-3,8-10,12,25H2,(H,27,30,32)
InChIKeyVHXAQKPKYHEDMN-UHFFFAOYSA-N
MW461.48 g/mol
LogP1.06
Rot. Bonds4

About 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 166426119) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID166426119
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)N(C(=O)CNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCC2
InChIInChI=1S/C24H23N5O5/c25-14-7-6-13-3-2-10-28(18(13)11-14)20(31)12-26-16-5-1-4-15-21(16)24(34)29(23(15)33)17-8-9-19(30)27-22(17)32/h1,4-7,11,17,26H,2-3,8-10,12,25H2,(H,27,30,32)
InChIKeyVHXAQKPKYHEDMN-UHFFFAOYSA-N
XLogP1.06
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167815833
N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
CID 170396123
4-[[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426144
(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione
CID 167724746
tert-butyl 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 146598983
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442
N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
CID 166426211
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
CID 160918370
4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158431

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 166426119) is 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Nc1ccc2c(c1)N(C(=O)CNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CCC2.
What is the InChIKey of 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is VHXAQKPKYHEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c25-14-7-6-13-3-2-10-28(18(13)11-14)20(31)12-26-16-5-1-4-15-21(16)24(34)29(23(15)33)17-8-9-19(30)27-22(17)32/h1,4-7,11,17,26H,2-3,8-10,12,25H2,(H,27,30,32).
What are the key properties of 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 461.48 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 166426119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).