6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H29NO4 — CID 4706796

IUPAC6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C30H29NO4/c1-4-15-34-23-12-8-11-22(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)14-13-21-9-6-5-7-10-21/h5-12,16-18,27H,4,13-15H2,1-3H3
InChIKeyMDQNMZUQTNGVDI-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.99
Rot. Bonds7

About 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706796) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706796
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C30H29NO4/c1-4-15-34-23-12-8-11-22(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)14-13-21-9-6-5-7-10-21/h5-12,16-18,27H,4,13-15H2,1-3H3
InChIKeyMDQNMZUQTNGVDI-UHFFFAOYSA-N
XLogP5.99
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706800
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954335
2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705451
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820578
2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705727
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
1-(3-methoxy-4-pentoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706772
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882754
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
2-benzyl-6,7-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810811
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705262
6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706785

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706796) is 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)c1.
What is the InChIKey of 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MDQNMZUQTNGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-4-15-34-23-12-8-11-22(18-23)27-26-28(32)24-16-19(2)20(3)17-25(24)35-29(26)30(33)31(27)14-13-21-9-6-5-7-10-21/h5-12,16-18,27H,4,13-15H2,1-3H3.
What are the key properties of 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.57 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).