1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO5 — CID 18856571

IUPAC1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H27NO5/c1-6-18-7-10-20(11-8-18)30-26(19-9-12-22(33-4)24(15-19)34-5)25-27(31)21-13-16(2)17(3)14-23(21)35-28(25)29(30)32/h7-15,26H,6H2,1-5H3
InChIKeyHMWKGFKSECUYCT-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.74
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856571) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856571
Molecular FormulaC29H27NO5
Molecular Weight469.54 g/mol
Exact Mass469.19
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H27NO5/c1-6-18-7-10-20(11-8-18)30-26(19-9-12-22(33-4)24(15-19)34-5)25-27(31)21-13-16(2)17(3)14-23(21)35-28(25)29(30)32/h7-15,26H,6H2,1-5H3
InChIKeyHMWKGFKSECUYCT-UHFFFAOYSA-N
XLogP5.74
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[1-(4-ethylphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856647
1-(4-butoxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856783
1-(3,4-diethoxyphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857059
7-chloro-2-(4-ethylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854293
2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856272
ethyl 4-[1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857272
2-(4-acetylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856807
1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856508
butyl 4-[1-(4-ethylphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856636
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856341
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856856

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856571) is 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HMWKGFKSECUYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-6-18-7-10-20(11-8-18)30-26(19-9-12-22(33-4)24(15-19)34-5)25-27(31)21-13-16(2)17(3)14-23(21)35-28(25)29(30)32/h7-15,26H,6H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(4-ethylphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).