(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C20H16FNO6 — CID 40744306

IUPAC(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C20H16FNO6/c1-25-13-6-9(7-14(26-2)18(13)27-3)16-15-17(23)11-8-10(21)4-5-12(11)28-19(15)20(24)22-16/h4-8,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyVZYAFPKYZPKTSG-INIZCTEOSA-N
MW385.35 g/mol
LogP2.79
Rot. Bonds4

About (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40744306) has the molecular formula C20H16FNO6 and a molecular weight of 385.35 g/mol. Its IUPAC name is (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40744306
Molecular FormulaC20H16FNO6
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc(OC)c1OC
InChIInChI=1S/C20H16FNO6/c1-25-13-6-9(7-14(26-2)18(13)27-3)16-15-17(23)11-8-10(21)4-5-12(11)28-19(15)20(24)22-16/h4-8,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyVZYAFPKYZPKTSG-INIZCTEOSA-N
XLogP2.79
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130537
7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4859307
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995
7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855665
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855663
7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130582
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130513

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 40744306) is (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@@H]2NC(=O)c3oc4ccc(F)cc4c(=O)c32)cc(OC)c1OC.
What is the InChIKey of (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VZYAFPKYZPKTSG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16FNO6/c1-25-13-6-9(7-14(26-2)18(13)27-3)16-15-17(23)11-8-10(21)4-5-12(11)28-19(15)20(24)22-16/h4-8,16H,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 385.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40744306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).