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

C24H18FN3O5 — CID 18820782

IUPAC1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ncccn2)cc1OC
InChIInChI=1S/C24H18FN3O5/c1-3-32-17-7-5-13(11-18(17)31-2)20-19-21(29)15-12-14(25)6-8-16(15)33-22(19)23(30)28(20)24-26-9-4-10-27-24/h4-12,20H,3H2,1-2H3
InChIKeyMLBLSXGSVYDZEZ-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.88
Rot. Bonds5

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

1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820782) has the molecular formula C24H18FN3O5 and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820782
Molecular FormulaC24H18FN3O5
Molecular Weight447.42 g/mol
Exact Mass447.12
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ncccn2)cc1OC
InChIInChI=1S/C24H18FN3O5/c1-3-32-17-7-5-13(11-18(17)31-2)20-19-21(29)15-12-14(25)6-8-16(15)33-22(19)23(30)28(20)24-26-9-4-10-27-24/h4-12,20H,3H2,1-2H3
InChIKeyMLBLSXGSVYDZEZ-UHFFFAOYSA-N
XLogP3.88
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-ethoxy-3-methoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855533
1-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856070
1-(4-butoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820787
1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819288
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819299
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820886
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820879
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820883
1-(3-chlorophenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035616
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819135

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820782) is 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ncccn2)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MLBLSXGSVYDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O5/c1-3-32-17-7-5-13(11-18(17)31-2)20-19-21(29)15-12-14(25)6-8-16(15)33-22(19)23(30)28(20)24-26-9-4-10-27-24/h4-12,20H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 447.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).