(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H18ClNO6 — CID 7734746

IUPAC(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc(OC)c1OC
InChIInChI=1S/C21H18ClNO6/c1-23-17(10-7-14(26-2)19(28-4)15(8-10)27-3)16-18(24)12-9-11(22)5-6-13(12)29-20(16)21(23)25/h5-9,17H,1-4H3/t17-/m1/s1
InChIKeyFZKONEBWNZCBJE-QGZVFWFLSA-N
MW415.83 g/mol
LogP3.65
Rot. Bonds4

About (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7734746) has the molecular formula C21H18ClNO6 and a molecular weight of 415.83 g/mol. Its IUPAC name is (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7734746
Molecular FormulaC21H18ClNO6
Molecular Weight415.83 g/mol
Exact Mass415.08
IUPAC Name(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc(OC)c1OC
InChIInChI=1S/C21H18ClNO6/c1-23-17(10-7-14(26-2)19(28-4)15(8-10)27-3)16-18(24)12-9-11(22)5-6-13(12)29-20(16)21(23)25/h5-9,17H,1-4H3/t17-/m1/s1
InChIKeyFZKONEBWNZCBJE-QGZVFWFLSA-N
XLogP3.65
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3799985
2-(4-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853291
7-chloro-1-(4-hydroxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2987108
7-chloro-2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5193551
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7388458
(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023187
(1R)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000033
(1S)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000032
7-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7734746) is (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc(OC)c1OC.
What is the InChIKey of (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FZKONEBWNZCBJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18ClNO6/c1-23-17(10-7-14(26-2)19(28-4)15(8-10)27-3)16-18(24)12-9-11(22)5-6-13(12)29-20(16)21(23)25/h5-9,17H,1-4H3/t17-/m1/s1.
What are the key properties of (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7734746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).