6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO4 — CID 18856685

IUPAC6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c1-4-14-32-21-12-10-19(11-13-21)25-24-26(30)22-15-17(2)18(3)16-23(22)33-27(24)28(31)29(25)20-8-6-5-7-9-20/h5-13,15-16,25H,4,14H2,1-3H3
InChIKeyPATREYDMXSTQPE-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.95
Rot. Bonds5

About 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856685) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856685
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c1-4-14-32-21-12-10-19(11-13-21)25-24-26(30)22-15-17(2)18(3)16-23(22)33-27(24)28(31)29(25)20-8-6-5-7-9-20/h5-13,15-16,25H,4,14H2,1-3H3
InChIKeyPATREYDMXSTQPE-UHFFFAOYSA-N
XLogP5.95
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856702
6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857022
6,7-dimethyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856348
1-(4-butoxy-3-ethoxyphenyl)-6,7-dimethyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857130
1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856508
2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
2-(4-acetylphenyl)-6,7-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856825
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856460
(1R)-6,7-dimethyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143873
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
2-(3,4-dimethylphenyl)-7-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857686
ethyl 4-[6,7-dimethyl-3,9-dioxo-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856827

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856685) is 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PATREYDMXSTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c1-4-14-32-21-12-10-19(11-13-21)25-24-26(30)22-15-17(2)18(3)16-23(22)33-27(24)28(31)29(25)20-8-6-5-7-9-20/h5-13,15-16,25H,4,14H2,1-3H3.
What are the key properties of 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 439.51 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).