1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C22H21NO5 — CID 19130889

IUPAC1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OC
InChIInChI=1S/C22H21NO5/c1-5-27-14-7-6-13(10-15(14)26-4)19-18-20(24)17-12(3)8-11(2)9-16(17)28-21(18)22(25)23-19/h6-10,19H,5H2,1-4H3,(H,23,25)
InChIKeyKWQUHSHRQLJWRW-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130889) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130889
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OC
InChIInChI=1S/C22H21NO5/c1-5-27-14-7-6-13(10-15(14)26-4)19-18-20(24)17-12(3)8-11(2)9-16(17)28-21(18)22(25)23-19/h6-10,19H,5H2,1-4H3,(H,23,25)
InChIKeyKWQUHSHRQLJWRW-UHFFFAOYSA-N
XLogP3.65
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130918
1-(4-hydroxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130886
1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130848
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890732
1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
1-(3-methoxy-4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130376
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108964
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130889) is 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KWQUHSHRQLJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-5-27-14-7-6-13(10-15(14)26-4)19-18-20(24)17-12(3)8-11(2)9-16(17)28-21(18)22(25)23-19/h6-10,19H,5H2,1-4H3,(H,23,25).
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 379.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).