(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H20F2N2O4 — CID 28835363

IUPAC(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCN1CCOCC1
InChIInChI=1S/C23H20F2N2O4/c24-15-3-1-2-14(12-15)20-19-21(28)17-13-16(25)4-5-18(17)31-22(19)23(29)27(20)7-6-26-8-10-30-11-9-26/h1-5,12-13,20H,6-11H2/t20-/m1/s1
InChIKeyXXPVEFJOZPRZCS-HXUWFJFHSA-N
MW426.42 g/mol
LogP2.95
Rot. Bonds4

About (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28835363) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28835363
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC Name(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCN1CCOCC1
InChIInChI=1S/C23H20F2N2O4/c24-15-3-1-2-14(12-15)20-19-21(28)17-13-16(25)4-5-18(17)31-22(19)23(29)27(20)7-6-26-8-10-30-11-9-26/h1-5,12-13,20H,6-11H2/t20-/m1/s1
InChIKeyXXPVEFJOZPRZCS-HXUWFJFHSA-N
XLogP2.95
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7161963
(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28838445
(1S)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
(1R)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 29204945
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705282
1-(4-butoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709468
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709263
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709464
3-[(1R)-7-fluoro-1-(3-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 7196578
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581

Frequently Asked Questions

What is the IUPAC name of (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28835363) is (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCN1CCOCC1.
What is the InChIKey of (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XXPVEFJOZPRZCS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c24-15-3-1-2-14(12-15)20-19-21(28)17-13-16(25)4-5-18(17)31-22(19)23(29)27(20)7-6-26-8-10-30-11-9-26/h1-5,12-13,20H,6-11H2/t20-/m1/s1.
What are the key properties of (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 426.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28835363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).