1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H32N2O4 — CID 50754140

IUPAC1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C28H32N2O4/c1-4-20-6-8-21(9-7-20)25-24-26(31)23-19(3)16-18(2)17-22(23)34-27(24)28(32)30(25)11-5-10-29-12-14-33-15-13-29/h6-9,16-17,25H,4-5,10-15H2,1-3H3
InChIKeyANSJTDSISZYRHK-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 50754140) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID50754140
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C28H32N2O4/c1-4-20-6-8-21(9-7-20)25-24-26(31)23-19(3)16-18(2)17-22(23)34-27(24)28(32)30(25)11-5-10-29-12-14-33-15-13-29/h6-9,16-17,25H,4-5,10-15H2,1-3H3
InChIKeyANSJTDSISZYRHK-UHFFFAOYSA-N
XLogP4.24
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865687
1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 50754141
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228
(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
(1R)-1-(4-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034349
7-bromo-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4292395
1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890820
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
1-(4-tert-butylphenyl)-2-(3-methoxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890746
2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108747
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890858
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 50754140) is 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ANSJTDSISZYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-4-20-6-8-21(9-7-20)25-24-26(31)23-19(3)16-18(2)17-22(23)34-27(24)28(32)30(25)11-5-10-29-12-14-33-15-13-29/h6-9,16-17,25H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 460.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 50754140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).