3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H17ClN4O4 — CID 59443305

IUPAC3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Cn4cnc5ccc(Cl)cc5c4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H17ClN4O4/c23-14-2-4-17-16(8-14)21(30)26(11-24-17)9-12-1-3-15-13(7-12)10-27(22(15)31)18-5-6-19(28)25-20(18)29/h1-4,7-8,11,18H,5-6,9-10H2,(H,25,28,29)
InChIKeyGEEDLAJRTPWABV-UHFFFAOYSA-N
MW436.86 g/mol
LogP1.86
Rot. Bonds3

About 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 59443305) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID59443305
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Cn4cnc5ccc(Cl)cc5c4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H17ClN4O4/c23-14-2-4-17-16(8-14)21(30)26(11-24-17)9-12-1-3-15-13(7-12)10-27(22(15)31)18-5-6-19(28)25-20(18)29/h1-4,7-8,11,18H,5-6,9-10H2,(H,25,28,29)
InChIKeyGEEDLAJRTPWABV-UHFFFAOYSA-N
XLogP1.86
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4H-isoquinoline-1,3-dione
CID 147745475
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
3-[3-oxo-6-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726598
3-[6-[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293520
3-[6-[[4-[(4-chlorophenyl)-difluoromethyl]triazol-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172562441
3-[6-(3,7-diazatricyclo[3.3.2.01,5]decan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735016
3-[6-[[(3aR,8aS)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716932
3-[6-[[(3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731318
3-[6-[(4-amino-2-azabicyclo[2.1.1]hexan-2-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731464
2,5-dichloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzenesulfonamide
CID 167773219
3-[6-[[4-[[2-(4-chlorophenyl)cyclohepten-1-yl]methyl]piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170784273
6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 168880037

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 59443305) is 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(Cn4cnc5ccc(Cl)cc5c4=O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GEEDLAJRTPWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c23-14-2-4-17-16(8-14)21(30)26(11-24-17)9-12-1-3-15-13(7-12)10-27(22(15)31)18-5-6-19(28)25-20(18)29/h1-4,7-8,11,18H,5-6,9-10H2,(H,25,28,29).
What are the key properties of 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 436.86 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 59443305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).