3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione

C19H23N5O2 — CID 146130699

IUPAC3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(CCN2CCN(c3cncc4ccccc34)CC2)C1=O
InChIInChI=1S/C19H23N5O2/c1-14-18(25)24(19(26)21-14)11-8-22-6-9-23(10-7-22)17-13-20-12-15-4-2-3-5-16(15)17/h2-5,12-14H,6-11H2,1H3,(H,21,26)
InChIKeyAIYQLDPUCVJQSV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione

3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 146130699) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID146130699
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(CCN2CCN(c3cncc4ccccc34)CC2)C1=O
InChIInChI=1S/C19H23N5O2/c1-14-18(25)24(19(26)21-14)11-8-22-6-9-23(10-7-22)17-13-20-12-15-4-2-3-5-16(15)17/h2-5,12-14H,6-11H2,1H3,(H,21,26)
InChIKeyAIYQLDPUCVJQSV-UHFFFAOYSA-N
XLogP1.30
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sgc707
CID 90642938
8-[(3-Methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 49848519
N-[1-(4-cyclopropylphenyl)propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 89880131
N-[1-[4-(azetidin-1-yl)phenyl]propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 89880132
(2R)-2-amino-N-[(2R)-1-[2-[4-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 91668304
2-Cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625316
7-Isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625318
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-pyridin-3-yl-urea
CID 9977368
(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide
CID 10578261
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-pyrido[3,4-e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 11741648
N-(4-ethylphenyl)-2-{1-(4-methylphenyl)-2,5-dioxo-3-[2-(pyridin-4-yl)ethyl]imidazolidin-4-yl}acetamide
CID 16009034
N'-(4-Methylphenyl)-N-[2-(pyridin-3-YL)-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)ethyl]ethanediamide
CID 16017461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione (CID 146130699) is 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(CCN2CCN(c3cncc4ccccc34)CC2)C1=O.
What is the InChIKey of 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AIYQLDPUCVJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-18(25)24(19(26)21-14)11-8-22-6-9-23(10-7-22)17-13-20-12-15-4-2-3-5-16(15)17/h2-5,12-14H,6-11H2,1H3,(H,21,26).
What are the key properties of 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione?
3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 353.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 146130699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).