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

C23H20ClFN2O4 — CID 28836056

IUPAC(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1
InChIInChI=1S/C23H20ClFN2O4/c24-14-5-6-18-16(13-14)21(28)19-20(15-3-1-2-4-17(15)25)27(23(29)22(19)31-18)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1
InChIKeyQBUMXQLAXIWYOL-FQEVSTJZSA-N
MW442.87 g/mol
LogP3.46
Rot. Bonds4

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

(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28836056) has the molecular formula C23H20ClFN2O4 and a molecular weight of 442.87 g/mol. Its IUPAC name is (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28836056
Molecular FormulaC23H20ClFN2O4
Molecular Weight442.87 g/mol
Exact Mass442.11
IUPAC Name(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1
InChIInChI=1S/C23H20ClFN2O4/c24-14-5-6-18-16(13-14)21(28)19-20(15-3-1-2-4-17(15)25)27(23(29)22(19)31-18)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1
InChIKeyQBUMXQLAXIWYOL-FQEVSTJZSA-N
XLogP3.46
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242626
(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835945
(1R)-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026534
(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28838445
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709297
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4216940
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
7-chloro-1-(4-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705152
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28836056) is (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1.
What is the InChIKey of (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QBUMXQLAXIWYOL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20ClFN2O4/c24-14-5-6-18-16(13-14)21(28)19-20(15-3-1-2-4-17(15)25)27(23(29)22(19)31-18)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1.
What are the key properties of (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 442.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28836056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).