7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17FN2O4 — CID 4708892

IUPAC7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1
InChIInChI=1S/C25H17FN2O4/c1-2-12-31-17-7-5-6-15(13-17)22-21-23(29)18-14-16(26)9-10-19(18)32-24(21)25(30)28(22)20-8-3-4-11-27-20/h2-11,13-14,22H,1,12H2
InChIKeyROZDMXRGUZBGMI-UHFFFAOYSA-N
MW428.42 g/mol
LogP4.64
Rot. Bonds5

About 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708892) has the molecular formula C25H17FN2O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4708892
Molecular FormulaC25H17FN2O4
Molecular Weight428.42 g/mol
Exact Mass428.12
IUPAC Name7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1
InChIInChI=1S/C25H17FN2O4/c1-2-12-31-17-7-5-6-15(13-17)22-21-23(29)18-14-16(26)9-10-19(18)32-24(21)25(30)28(22)20-8-3-4-11-27-20/h2-11,13-14,22H,1,12H2
InChIKeyROZDMXRGUZBGMI-UHFFFAOYSA-N
XLogP4.64
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3820149
(1S)-7-fluoro-2-(6-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841727
(1S)-1-(3-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7578256
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707359
7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848651
7-chloro-1-(3-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708932
1-(3-fluorophenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4043740
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
6,7-dimethyl-2-(4-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819888
7-bromo-2-(5-chloro-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819666
7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820853
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708892) is 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1.
What is the InChIKey of 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ROZDMXRGUZBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O4/c1-2-12-31-17-7-5-6-15(13-17)22-21-23(29)18-14-16(26)9-10-19(18)32-24(21)25(30)28(22)20-8-3-4-11-27-20/h2-11,13-14,22H,1,12H2.
What are the key properties of 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 428.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-prop-2-enoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).