1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H20FN3O5S — CID 4707085

IUPAC1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nncs2)cc1OCC
InChIInChI=1S/C24H20FN3O5S/c1-3-9-32-17-7-5-13(10-18(17)31-4-2)20-19-21(29)15-11-14(25)6-8-16(15)33-22(19)23(30)28(20)24-27-26-12-34-24/h5-8,10-12,20H,3-4,9H2,1-2H3
InChIKeySTOAKKCQDDFRTB-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.72
Rot. Bonds7

About 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4707085) has the molecular formula C24H20FN3O5S and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4707085
Molecular FormulaC24H20FN3O5S
Molecular Weight481.51 g/mol
Exact Mass481.11
IUPAC Name1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nncs2)cc1OCC
InChIInChI=1S/C24H20FN3O5S/c1-3-9-32-17-7-5-13(10-18(17)31-4-2)20-19-21(29)15-11-14(25)6-8-16(15)33-22(19)23(30)28(20)24-27-26-12-34-24/h5-8,10-12,20H,3-4,9H2,1-2H3
InChIKeySTOAKKCQDDFRTB-UHFFFAOYSA-N
XLogP4.72
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-butoxy-3-ethoxyphenyl)-7-chloro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706922
1-(3,4-dimethoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707056
7-chloro-1-(3-methoxy-4-propoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3314962
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820879
7-fluoro-1-(4-hexoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707091
7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707069
2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856094
1-(4-butoxy-3-methoxyphenyl)-7-chloro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706910
prop-2-enyl 2-[1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4708389
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810397
7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704894
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856153

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4707085) is 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nncs2)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is STOAKKCQDDFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S/c1-3-9-32-17-7-5-13(10-18(17)31-4-2)20-19-21(29)15-11-14(25)6-8-16(15)33-22(19)23(30)28(20)24-27-26-12-34-24/h5-8,10-12,20H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 481.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4707085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).