6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H32N2O5 — CID 73263751

IUPAC6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOC1CCC2C(=O)C3=C(OC2C1)C(=O)N(CCN1CCOCC1)C3c1ccc(C)cc1
InChIInChI=1S/C25H32N2O5/c1-16-3-5-17(6-4-16)22-21-23(28)19-8-7-18(30-2)15-20(19)32-24(21)25(29)27(22)10-9-26-11-13-31-14-12-26/h3-6,18-20,22H,7-15H2,1-2H3
InChIKeyGRHUBOTZVCMYHI-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.25
Rot. Bonds5

About 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 73263751) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID73263751
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOC1CCC2C(=O)C3=C(OC2C1)C(=O)N(CCN1CCOCC1)C3c1ccc(C)cc1
InChIInChI=1S/C25H32N2O5/c1-16-3-5-17(6-4-16)22-21-23(28)19-8-7-18(30-2)15-20(19)32-24(21)25(29)27(22)10-9-26-11-13-31-14-12-26/h3-6,18-20,22H,7-15H2,1-2H3
InChIKeyGRHUBOTZVCMYHI-UHFFFAOYSA-N
XLogP2.25
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571016
1-(4-chlorophenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74570981
1-(2,3-dimethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571012
1-(2-fluorophenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74570980
1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74570991
methyl 4-[2-(2-morpholin-4-ylethyl)-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 78256669
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571054
7-chloro-2-(2-morpholin-4-ylethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264719
7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-prop-2-enoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571064
2-[3-(dimethylamino)propyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74773928
2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74725322
7-chloro-2-(3-morpholin-4-ylpropyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264706

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 73263751) is 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COC1CCC2C(=O)C3=C(OC2C1)C(=O)N(CCN1CCOCC1)C3c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GRHUBOTZVCMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-16-3-5-17(6-4-16)22-21-23(28)19-8-7-18(30-2)15-20(19)32-24(21)25(29)27(22)10-9-26-11-13-31-14-12-26/h3-6,18-20,22H,7-15H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.54 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 73263751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).