7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21FN2O5 — CID 18820886

IUPAC7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC
InChIInChI=1S/C27H21FN2O5/c1-4-12-34-20-10-8-16(13-21(20)33-3)24-23-25(31)18-14-17(28)9-11-19(18)35-26(23)27(32)30(24)22-7-5-6-15(2)29-22/h4-11,13-14,24H,1,12H2,2-3H3
InChIKeyMLKUEWGMOYXEDT-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.96
Rot. Bonds6

About 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820886) has the molecular formula C27H21FN2O5 and a molecular weight of 472.47 g/mol. Its IUPAC name is 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820886
Molecular FormulaC27H21FN2O5
Molecular Weight472.47 g/mol
Exact Mass472.14
IUPAC Name7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC
InChIInChI=1S/C27H21FN2O5/c1-4-12-34-20-10-8-16(13-21(20)33-3)24-23-25(31)18-14-17(28)9-11-19(18)35-26(23)27(32)30(24)22-7-5-6-15(2)29-22/h4-11,13-14,24H,1,12H2,2-3H3
InChIKeyMLKUEWGMOYXEDT-UHFFFAOYSA-N
XLogP4.96
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-7-fluoro-2-(6-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841727
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856243
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820879
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820883
1-(4-butoxy-3-methoxyphenyl)-7-methyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819370
7-bromo-1-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819708
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819716
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4589577
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820782
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3814951
2-(4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858240
1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4675379

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 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) is 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC.
What is the InChIKey of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MLKUEWGMOYXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O5/c1-4-12-34-20-10-8-16(13-21(20)33-3)24-23-25(31)18-14-17(28)9-11-19(18)35-26(23)27(32)30(24)22-7-5-6-15(2)29-22/h4-11,13-14,24H,1,12H2,2-3H3.
What are the key properties of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 472.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).