2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H34N2O7 — CID 23472501

IUPAC2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(CC)CC)C3c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H34N2O7/c1-7-29(8-2)12-13-30-24(17-14-21(33-4)26(35-6)22(15-17)34-5)23-25(31)19-11-10-18(36-9-3)16-20(19)37-27(23)28(30)32/h10-11,14-16,24H,7-9,12-13H2,1-6H3
InChIKeyLIWKUURHYLVERY-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.10
Rot. Bonds11

About 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472501) has the molecular formula C28H34N2O7 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472501
Molecular FormulaC28H34N2O7
Molecular Weight510.59 g/mol
Exact Mass510.24
IUPAC Name2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(CC)CC)C3c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H34N2O7/c1-7-29(8-2)12-13-30-24(17-14-21(33-4)26(35-6)22(15-17)34-5)23-25(31)19-11-10-18(36-9-3)16-20(19)37-27(23)28(30)32/h10-11,14-16,24H,7-9,12-13H2,1-6H3
InChIKeyLIWKUURHYLVERY-UHFFFAOYSA-N
XLogP4.10
TPSA90.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472606
1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472273
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
(1S)-2-[2-(diethylamino)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011447
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417911
(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913
methyl 4-[2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 23472257
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705375
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472250
2-[2-(diethylamino)ethyl]-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472501) is 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(CC)CC)C3c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LIWKUURHYLVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O7/c1-7-29(8-2)12-13-30-24(17-14-21(33-4)26(35-6)22(15-17)34-5)23-25(31)19-11-10-18(36-9-3)16-20(19)37-27(23)28(30)32/h10-11,14-16,24H,7-9,12-13H2,1-6H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 510.59 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).