7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H28FNO5 — CID 4706605

IUPAC7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)c1
InChIInChI=1S/C26H28FNO5/c1-3-4-5-14-32-19-9-6-8-17(15-19)23-22-24(29)20-16-18(27)10-11-21(20)33-25(22)26(30)28(23)12-7-13-31-2/h6,8-11,15-16,23H,3-5,7,12-14H2,1-2H3
InChIKeyJZAFXQQJGWFULV-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.08
Rot. Bonds10

About 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706605) has the molecular formula C26H28FNO5 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706605
Molecular FormulaC26H28FNO5
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)c1
InChIInChI=1S/C26H28FNO5/c1-3-4-5-14-32-19-9-6-8-17(15-19)23-22-24(29)20-16-18(27)10-11-21(20)33-25(22)26(30)28(23)12-7-13-31-2/h6,8-11,15-16,23H,3-5,7,12-14H2,1-2H3
InChIKeyJZAFXQQJGWFULV-UHFFFAOYSA-N
XLogP5.08
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-fluoro-2-(2-methoxyethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3710556
1-(3-butoxyphenyl)-2-[2-(diethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705507
1-(3-butoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820709
2-[(1R)-1-(3-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7196611
7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2960037
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706574
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
(1R)-1-(3-butoxyphenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27350267
7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820853
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705784
7-chloro-2-(3-morpholin-4-ylpropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705174
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706605) is 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JZAFXQQJGWFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO5/c1-3-4-5-14-32-19-9-6-8-17(15-19)23-22-24(29)20-16-18(27)10-11-21(20)33-25(22)26(30)28(23)12-7-13-31-2/h6,8-11,15-16,23H,3-5,7,12-14H2,1-2H3.
What are the key properties of 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 453.51 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxypropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).