(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H18FNO5 — CID 2223999

IUPAC(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H18FNO5/c1-30-19-12-7-14(13-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)32-24(21)25(29)27(22)16-10-8-15(26)9-11-16/h3-13,22H,1-2H3/t22-/m0/s1
InChIKeyIBRVBWDBZMPJKN-QFIPXVFZSA-N
MW431.42 g/mol
LogP4.70
Rot. Bonds4

About (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2223999) has the molecular formula C25H18FNO5 and a molecular weight of 431.42 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2223999
Molecular FormulaC25H18FNO5
Molecular Weight431.42 g/mol
Exact Mass431.12
IUPAC Name(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H18FNO5/c1-30-19-12-7-14(13-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)32-24(21)25(29)27(22)16-10-8-15(26)9-11-16/h3-13,22H,1-2H3/t22-/m0/s1
InChIKeyIBRVBWDBZMPJKN-QFIPXVFZSA-N
XLogP4.70
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852425
2-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852214
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061
7-fluoro-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855603
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852399
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
(1R)-1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075963
1-(3,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4993493
(1R)-1-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1236620
2-(3,4-dimethylphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852402
7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856243

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2223999) is (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC.
What is the InChIKey of (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IBRVBWDBZMPJKN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H18FNO5/c1-30-19-12-7-14(13-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)32-24(21)25(29)27(22)16-10-8-15(26)9-11-16/h3-13,22H,1-2H3/t22-/m0/s1.
What are the key properties of (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2223999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).