2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H18ClNO4 — CID 19113960

IUPAC2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO4/c1-30-18-12-8-16(9-13-18)22-21-23(28)19-4-2-3-5-20(19)31-24(21)25(29)27(22)14-15-6-10-17(26)11-7-15/h2-13,22H,14H2,1H3
InChIKeyDIYAGTUEMURKFV-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.20
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19113960) has the molecular formula C25H18ClNO4 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19113960
Molecular FormulaC25H18ClNO4
Molecular Weight431.88 g/mol
Exact Mass431.09
IUPAC Name2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H18ClNO4/c1-30-18-12-8-16(9-13-18)22-21-23(28)19-4-2-3-5-20(19)31-24(21)25(29)27(22)14-15-6-10-17(26)11-7-15/h2-13,22H,14H2,1H3
InChIKeyDIYAGTUEMURKFV-UHFFFAOYSA-N
XLogP5.20
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3957445
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4678491
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809538
(1R)-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212775
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136139
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143970
(1R)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144291
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
1-(4-butoxy-3-methoxyphenyl)-2-[(4-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113956
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19113960) is 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DIYAGTUEMURKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO4/c1-30-18-12-8-16(9-13-18)22-21-23(28)19-4-2-3-5-20(19)31-24(21)25(29)27(22)14-15-6-10-17(26)11-7-15/h2-13,22H,14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.88 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19113960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).