2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

C25H26N4O4 — CID 4885742

IUPAC2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C25H26N4O4/c30-23-18-6-1-2-7-19(18)24(31)29(23)11-5-10-22-26-21-9-4-3-8-20(21)25(32)28(22)13-12-27-14-16-33-17-15-27/h1-4,6-9H,5,10-17H2
InChIKeyYYKTYHRIPUJGIG-UHFFFAOYSA-N
MW446.51 g/mol
LogP1.96
Rot. Bonds7

About 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (PubChem CID 4885742) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
PubChem CID4885742
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C25H26N4O4/c30-23-18-6-1-2-7-19(18)24(31)29(23)11-5-10-22-26-21-9-4-3-8-20(21)25(32)28(22)13-12-27-14-16-33-17-15-27/h1-4,6-9H,5,10-17H2
InChIKeyYYKTYHRIPUJGIG-UHFFFAOYSA-N
XLogP1.96
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione
CID 177159086
2-[3-[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione;hydrochloride
CID 163328708
2-[2-[4-oxo-3-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159055
2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158994
2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 1497142
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
CID 143618036
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (CID 4885742) is 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCN1CCOCC1.
What is the InChIKey of 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The InChIKey is YYKTYHRIPUJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-23-18-6-1-2-7-19(18)24(31)29(23)11-5-10-22-26-21-9-4-3-8-20(21)25(32)28(22)13-12-27-14-16-33-17-15-27/h1-4,6-9H,5,10-17H2.
What are the key properties of 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 446.51 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 4885742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).