6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O4 — CID 4987317

IUPAC6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H30N2O4/c1-17-5-7-20(8-6-17)24-23-25(30)21-15-18(2)19(3)16-22(21)33-26(23)27(31)29(24)10-4-9-28-11-13-32-14-12-28/h5-8,15-16,24H,4,9-14H2,1-3H3
InChIKeyQIZXNUBWHOWOPC-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.99
Rot. Bonds5

About 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4987317) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4987317
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H30N2O4/c1-17-5-7-20(8-6-17)24-23-25(30)21-15-18(2)19(3)16-22(21)33-26(23)27(31)29(24)10-4-9-28-11-13-32-14-12-28/h5-8,15-16,24H,4,9-14H2,1-3H3
InChIKeyQIZXNUBWHOWOPC-UHFFFAOYSA-N
XLogP3.99
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4987317) is 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QIZXNUBWHOWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-17-5-7-20(8-6-17)24-23-25(30)21-15-18(2)19(3)16-22(21)33-26(23)27(31)29(24)10-4-9-28-11-13-32-14-12-28/h5-8,15-16,24H,4,9-14H2,1-3H3.
What are the key properties of 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 446.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).