7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H31ClN2O7 — CID 19134551

IUPAC7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C28H31ClN2O7/c1-16-12-20-18(15-19(16)29)25(32)23-24(17-13-21(34-2)26(36-4)22(14-17)35-3)31(28(33)27(23)38-20)7-5-6-30-8-10-37-11-9-30/h12-15,24H,5-11H2,1-4H3
InChIKeyYYPMGNFKRSBRFJ-UHFFFAOYSA-N
MW543.02 g/mol
LogP4.05
Rot. Bonds8

About 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134551) has the molecular formula C28H31ClN2O7 and a molecular weight of 543.02 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134551
Molecular FormulaC28H31ClN2O7
Molecular Weight543.02 g/mol
Exact Mass542.18
IUPAC Name7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C28H31ClN2O7/c1-16-12-20-18(15-19(16)29)25(32)23-24(17-13-21(34-2)26(36-4)22(14-17)35-3)31(28(33)27(23)38-20)7-5-6-30-8-10-37-11-9-30/h12-15,24H,5-11H2,1-4H3
InChIKeyYYPMGNFKRSBRFJ-UHFFFAOYSA-N
XLogP4.05
TPSA90.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.02
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705253
1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705275
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-chloro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954803
2-(2-methoxyethyl)-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706227
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
2-butyl-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882306
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709297
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837
(1S)-1-(4-hydroxy-3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27309153
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705262
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705186

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134551) is 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YYPMGNFKRSBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O7/c1-16-12-20-18(15-19(16)29)25(32)23-24(17-13-21(34-2)26(36-4)22(14-17)35-3)31(28(33)27(23)38-20)7-5-6-30-8-10-37-11-9-30/h12-15,24H,5-11H2,1-4H3.
What are the key properties of 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 543.02 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).