1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H19FN2O5 — CID 18820843

IUPAC1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O
InChIInChI=1S/C25H19FN2O5/c1-3-32-19-11-14(4-6-17(19)29)22-21-23(30)16-12-15(26)5-7-18(16)33-24(21)25(31)28(22)20-10-13(2)8-9-27-20/h4-12,22,29H,3H2,1-2H3
InChIKeyGMOMQQGCBBRJPF-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820843) has the molecular formula C25H19FN2O5 and a molecular weight of 446.43 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820843
Molecular FormulaC25H19FN2O5
Molecular Weight446.43 g/mol
Exact Mass446.13
IUPAC Name1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O
InChIInChI=1S/C25H19FN2O5/c1-3-32-19-11-14(4-6-17(19)29)22-21-23(30)16-12-15(26)5-7-18(16)33-24(21)25(31)28(22)20-10-13(2)8-9-27-20/h4-12,22,29H,3H2,1-2H3
InChIKeyGMOMQQGCBBRJPF-UHFFFAOYSA-N
XLogP4.49
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855626
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1401790
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144298
(1R)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308568
7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820853
(1R)-7-methyl-1-(4-methylphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7530316
7-fluoro-2-(4-methyl-2-pyridinyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912458
butyl 4-[1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855617
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820782
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853255
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857625

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820843) is 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GMOMQQGCBBRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O5/c1-3-32-19-11-14(4-6-17(19)29)22-21-23(30)16-12-15(26)5-7-18(16)33-24(21)25(31)28(22)20-10-13(2)8-9-27-20/h4-12,22,29H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 446.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).