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

C25H25FN2O6 — CID 4709464

IUPAC1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C25H25FN2O6/c1-2-33-20-13-15(3-5-18(20)29)22-21-23(30)17-14-16(26)4-6-19(17)34-24(21)25(31)28(22)8-7-27-9-11-32-12-10-27/h3-6,13-14,22,29H,2,7-12H2,1H3
InChIKeyQTNNVYKXOVUXQM-UHFFFAOYSA-N
MW468.48 g/mol
LogP2.91
Rot. Bonds6

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

1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709464) has the molecular formula C25H25FN2O6 and a molecular weight of 468.48 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709464
Molecular FormulaC25H25FN2O6
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C25H25FN2O6/c1-2-33-20-13-15(3-5-18(20)29)22-21-23(30)17-14-16(26)4-6-19(17)34-24(21)25(31)28(22)8-7-27-9-11-32-12-10-27/h3-6,13-14,22,29H,2,7-12H2,1H3
InChIKeyQTNNVYKXOVUXQM-UHFFFAOYSA-N
XLogP2.91
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705287
1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709409
(1S)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144298
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705302
1-(4-butoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709468
7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709499
7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709501
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28838445
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705291

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709464) is 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QTNNVYKXOVUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O6/c1-2-33-20-13-15(3-5-18(20)29)22-21-23(30)17-14-16(26)4-6-19(17)34-24(21)25(31)28(22)8-7-27-9-11-32-12-10-27/h3-6,13-14,22,29H,2,7-12H2,1H3.
What are the key properties of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 468.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).