2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione

C25H21N5O3 — CID 177158994

IUPAC2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
SMILESCc1ncc(CCn2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cn1
InChIInChI=1S/C25H21N5O3/c1-16-26-14-17(15-27-16)10-12-29-22(28-21-9-5-4-8-20(21)25(29)33)11-13-30-23(31)18-6-2-3-7-19(18)24(30)32/h2-9,14-15H,10-13H2,1H3
InChIKeyZFXLUFXYGRSWGB-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.58
Rot. Bonds6

About 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione

2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 177158994) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
PubChem CID177158994
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
SMILESCc1ncc(CCn2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cn1
InChIInChI=1S/C25H21N5O3/c1-16-26-14-17(15-27-16)10-12-29-22(28-21-9-5-4-8-20(21)25(29)33)11-13-30-23(31)18-6-2-3-7-19(18)24(30)32/h2-9,14-15H,10-13H2,1H3
InChIKeyZFXLUFXYGRSWGB-UHFFFAOYSA-N
XLogP2.58
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-oxo-3-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159055
2-[3-[3-[2-(3,4-diethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione;hydrochloride
CID 163328708
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
CID 177159194
2-[2-[6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158980
2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 4885742
4-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxoquinazolin-6-yl]ethyl]-2-[2-[4-oxo-3-(2-pyrazol-1-ylethyl)quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159063
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
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-[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 2403457
2-[3-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 1497142
2-[2-[3-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]isoindole-1,3-dione
CID 177159090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione (CID 177158994) is 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione is Cc1ncc(CCn2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cn1.
What is the InChIKey of 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ZFXLUFXYGRSWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-16-26-14-17(15-27-16)10-12-29-22(28-21-9-5-4-8-20(21)25(29)33)11-13-30-23(31)18-6-2-3-7-19(18)24(30)32/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 439.48 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 177158994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).