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

C23H22FN2O4+ — CID 7196590

IUPAC(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CC[NH+]1CCOCC1
InChIInChI=1S/C23H21FN2O4/c24-16-6-7-18-17(14-16)21(27)19-20(15-4-2-1-3-5-15)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h1-7,14,20H,8-13H2/p+1/t20-/m0/s1
InChIKeyIEAKUBXDQVHWPI-FQEVSTJZSA-O
MW409.44 g/mol
LogP1.39
Rot. Bonds4

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

(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7196590) has the molecular formula C23H22FN2O4+ and a molecular weight of 409.44 g/mol. Its IUPAC name is (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7196590
Molecular FormulaC23H22FN2O4+
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CC[NH+]1CCOCC1
InChIInChI=1S/C23H21FN2O4/c24-16-6-7-18-17(14-16)21(27)19-20(15-4-2-1-3-5-15)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h1-7,14,20H,8-13H2/p+1/t20-/m0/s1
InChIKeyIEAKUBXDQVHWPI-FQEVSTJZSA-O
XLogP1.39
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(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-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013531
3-[(1R)-7-fluoro-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 7196572
(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
1-(4-bromophenyl)-7-fluoro-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706816
(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002180
(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
(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009678

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7196590) is (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CC[NH+]1CCOCC1.
What is the InChIKey of (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IEAKUBXDQVHWPI-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H21FN2O4/c24-16-6-7-18-17(14-16)21(27)19-20(15-4-2-1-3-5-15)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h1-7,14,20H,8-13H2/p+1/t20-/m0/s1.
What are the key properties of (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 409.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-2-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7196590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).