2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H28N2O5 — CID 4710981

IUPAC2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)ccc1O
InChIInChI=1S/C25H28N2O5/c1-6-31-20-13-16(7-8-18(20)28)22-21-23(29)17-11-14(2)15(3)12-19(17)32-24(21)25(30)27(22)10-9-26(4)5/h7-8,11-13,22,28H,6,9-10H2,1-5H3
InChIKeyKLUVGURRDRRLBJ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4710981) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4710981
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)ccc1O
InChIInChI=1S/C25H28N2O5/c1-6-31-20-13-16(7-8-18(20)28)22-21-23(29)17-11-14(2)15(3)12-19(17)32-24(21)25(30)27(22)10-9-26(4)5/h7-8,11-13,22,28H,6,9-10H2,1-5H3
InChIKeyKLUVGURRDRRLBJ-UHFFFAOYSA-N
XLogP3.62
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(3,4-diethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 34116886
1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709409
2-[3-(dimethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5082658
(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768048
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39866958
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019785
(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308877
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705759
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705380
(1R)-1-(4-bromophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212038
7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134388
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4710981) is 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)ccc1O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KLUVGURRDRRLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-6-31-20-13-16(7-8-18(20)28)22-21-23(29)17-11-14(2)15(3)12-19(17)32-24(21)25(30)27(22)10-9-26(4)5/h7-8,11-13,22,28H,6,9-10H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4710981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).