7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H17BrN2O3 — CID 18819701

IUPAC7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17BrN2O3/c1-13-6-8-15(9-7-13)21-20-22(28)17-12-16(25)10-11-18(17)30-23(20)24(29)27(21)19-5-3-4-14(2)26-19/h3-12,21H,1-2H3
InChIKeyZMFOTGLNBUGSBO-UHFFFAOYSA-N
MW461.32 g/mol
LogP5.32
Rot. Bonds2

About 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18819701) has the molecular formula C24H17BrN2O3 and a molecular weight of 461.32 g/mol. Its IUPAC name is 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18819701
Molecular FormulaC24H17BrN2O3
Molecular Weight461.32 g/mol
Exact Mass460.04
IUPAC Name7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1
InChIInChI=1S/C24H17BrN2O3/c1-13-6-8-15(9-7-13)21-20-22(28)17-12-16(25)10-11-18(17)30-23(20)24(29)27(21)19-5-3-4-14(2)26-19/h3-12,21H,1-2H3
InChIKeyZMFOTGLNBUGSBO-UHFFFAOYSA-N
XLogP5.32
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3772979
7-methyl-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819359
7-bromo-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3771164
7-bromo-1-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819708
7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4892209
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819716
2-(3-bromophenyl)-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857357
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3814951
7-methyl-2-(6-methyl-2-pyridinyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3916642
7-methyl-2-(6-methyl-2-pyridinyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819363
7-bromo-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902958
7-bromo-1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854854

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18819701) is 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1.
What is the InChIKey of 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZMFOTGLNBUGSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O3/c1-13-6-8-15(9-7-13)21-20-22(28)17-12-16(25)10-11-18(17)30-23(20)24(29)27(21)19-5-3-4-14(2)26-19/h3-12,21H,1-2H3.
What are the key properties of 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 461.32 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18819701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).