2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione

C26H26N4O4 — CID 90411340

IUPAC2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C26H26N4O4/c31-25-20-3-1-2-4-21(20)26(32)30(25)17-5-7-19(8-6-17)34-23-16-18(29-11-13-33-14-12-29)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2
InChIKeyNVTLKIFNUWEUAQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.45
Rot. Bonds4

About 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione

2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione (PubChem CID 90411340) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione
PubChem CID90411340
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C26H26N4O4/c31-25-20-3-1-2-4-21(20)26(32)30(25)17-5-7-19(8-6-17)34-23-16-18(29-11-13-33-14-12-29)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2
InChIKeyNVTLKIFNUWEUAQ-UHFFFAOYSA-N
XLogP3.45
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione (CID 90411340) is 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione?
The InChIKey is NVTLKIFNUWEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-25-20-3-1-2-4-21(20)26(32)30(25)17-5-7-19(8-6-17)34-23-16-18(29-11-13-33-14-12-29)15-22-24(23)28-10-9-27-22/h1-4,9-10,15-17,19H,5-8,11-14H2.
What are the key properties of 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione?
2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione has a molecular weight of 458.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 90411340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).