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

C23H20ClFN2O4 — CID 28838445

IUPAC(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCN1CCOCC1
InChIInChI=1S/C23H20ClFN2O4/c24-15-3-1-14(2-4-15)20-19-21(28)17-13-16(25)5-6-18(17)31-22(19)23(29)27(20)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1
InChIKeyFRFQNXZVUFMSHZ-FQEVSTJZSA-N
MW442.87 g/mol
LogP3.46
Rot. Bonds4

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

(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28838445) has the molecular formula C23H20ClFN2O4 and a molecular weight of 442.87 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28838445
Molecular FormulaC23H20ClFN2O4
Molecular Weight442.87 g/mol
Exact Mass442.11
IUPAC Name(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCN1CCOCC1
InChIInChI=1S/C23H20ClFN2O4/c24-15-3-1-14(2-4-15)20-19-21(28)17-13-16(25)5-6-18(17)31-22(19)23(29)27(20)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1
InChIKeyFRFQNXZVUFMSHZ-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-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
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
(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)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228
7-chloro-1-(4-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705152
(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836056
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709464
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709297

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28838445) is (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCN1CCOCC1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FRFQNXZVUFMSHZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20ClFN2O4/c24-15-3-1-14(2-4-15)20-19-21(28)17-13-16(25)5-6-18(17)31-22(19)23(29)27(20)8-7-26-9-11-30-12-10-26/h1-6,13,20H,7-12H2/t20-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(4-chlorophenyl)-7-fluoro-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 (1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).