2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21FN2O4 — CID 4894342

IUPAC2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1C1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN(C)C
InChIInChI=1S/C22H21FN2O4/c1-24(2)10-11-25-19(14-6-4-5-7-16(14)28-3)18-20(26)15-12-13(23)8-9-17(15)29-21(18)22(25)27/h4-9,12,19H,10-11H2,1-3H3
InChIKeyUILJAFJEPRFEMS-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.05
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4894342) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4894342
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1C1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN(C)C
InChIInChI=1S/C22H21FN2O4/c1-24(2)10-11-25-19(14-6-4-5-7-16(14)28-3)18-20(26)15-12-13(23)8-9-17(15)29-21(18)22(25)27/h4-9,12,19H,10-11H2,1-3H3
InChIKeyUILJAFJEPRFEMS-UHFFFAOYSA-N
XLogP3.05
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705759
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4895862
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894326
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848664
(1S)-7-chloro-1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066309
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705768
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581
(1S)-1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066659
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705784

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4894342) is 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccccc1C1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UILJAFJEPRFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-24(2)10-11-25-19(14-6-4-5-7-16(14)28-3)18-20(26)15-12-13(23)8-9-17(15)29-21(18)22(25)27/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 396.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4894342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).