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

C23H23FN2O4 — CID 4705504

IUPAC2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C23H23FN2O4/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(27)12-14)19-21(28)17-13-15(24)8-9-18(17)30-22(19)23(26)29/h5-9,12-13,20,27H,3-4,10-11H2,1-2H3
InChIKeyZNBQFUFKGRKQDS-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.52
Rot. Bonds6

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

2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705504) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705504
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C23H23FN2O4/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(27)12-14)19-21(28)17-13-15(24)8-9-18(17)30-22(19)23(26)29/h5-9,12-13,20,27H,3-4,10-11H2,1-2H3
InChIKeyZNBQFUFKGRKQDS-UHFFFAOYSA-N
XLogP3.52
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-butoxyphenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705507
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
2-[2-(diethylamino)ethyl]-7-ethyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472840
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40728678
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705504) is 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1cccc(O)c1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZNBQFUFKGRKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(27)12-14)19-21(28)17-13-15(24)8-9-18(17)30-22(19)23(26)29/h5-9,12-13,20,27H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).