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

C25H24ClNO7 — CID 2023187

IUPAC(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]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[C@H]2CCCO2)cc(OC)c1OC
InChIInChI=1S/C25H24ClNO7/c1-30-18-9-13(10-19(31-2)23(18)32-3)21-20-22(28)16-11-14(26)6-7-17(16)34-24(20)25(29)27(21)12-15-5-4-8-33-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3/t15-,21+/m1/s1
InChIKeyXTNAPEZHWYXKMD-VFNWGFHPSA-N
MW485.92 g/mol
LogP4.20
Rot. Bonds6

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

(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2023187) has the molecular formula C25H24ClNO7 and a molecular weight of 485.92 g/mol. Its IUPAC name is (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2023187
Molecular FormulaC25H24ClNO7
Molecular Weight485.92 g/mol
Exact Mass485.12
IUPAC Name(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]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[C@H]2CCCO2)cc(OC)c1OC
InChIInChI=1S/C25H24ClNO7/c1-30-18-9-13(10-19(31-2)23(18)32-3)21-20-22(28)16-11-14(26)6-7-17(16)34-24(20)25(29)27(21)12-15-5-4-8-33-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3/t15-,21+/m1/s1
InChIKeyXTNAPEZHWYXKMD-VFNWGFHPSA-N
XLogP4.20
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000240
(1S)-7-chloro-1-(4-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000242
7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3756143
(1R)-7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2218898
7-chloro-1-(4-hexoxyphenyl)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820196
1-(3-butoxyphenyl)-7-chloro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820184
(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717
(1R)-1-(4-methoxyphenyl)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015174
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820437
(1R)-7-chloro-2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7734746
(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023225
(1R)-1-(3,4-dichlorophenyl)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2018164

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (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) is (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]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[C@H]2CCCO2)cc(OC)c1OC.
What is the InChIKey of (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XTNAPEZHWYXKMD-VFNWGFHPSA-N. The full InChI is InChI=1S/C25H24ClNO7/c1-30-18-9-13(10-19(31-2)23(18)32-3)21-20-22(28)16-11-14(26)6-7-17(16)34-24(20)25(29)27(21)12-15-5-4-8-33-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3/t15-,21+/m1/s1.
What are the key properties of (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-2-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2023187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).