3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium

C24H26BrN2O3+ — CID 2242759

IUPAC3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C24H25BrN2O3/c1-3-26(4-2)13-8-14-27-21(16-9-6-5-7-10-16)20-22(28)18-15-17(25)11-12-19(18)30-23(20)24(27)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/p+1/t21-/m1/s1
InChIKeyODJWCHBRRCMKEH-OAQYLSRUSA-O
MW470.39 g/mol
LogP3.42
Rot. Bonds7

About 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium

3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium (PubChem CID 2242759) has the molecular formula C24H26BrN2O3+ and a molecular weight of 470.39 g/mol. Its IUPAC name is 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium.

Molecular Properties

Compound Name3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
PubChem CID2242759
Molecular FormulaC24H26BrN2O3+
Molecular Weight470.39 g/mol
Exact Mass469.11
IUPAC Name3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C24H25BrN2O3/c1-3-26(4-2)13-8-14-27-21(16-9-6-5-7-10-16)20-22(28)18-15-17(25)11-12-19(18)30-23(20)24(27)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/p+1/t21-/m1/s1
InChIKeyODJWCHBRRCMKEH-OAQYLSRUSA-O
XLogP3.42
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium with MolForge

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Related Compounds

3-[7-bromo-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 4292274
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 2242497
7-bromo-1-phenyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3891711
2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 2014152
2-[7-bromo-1-(2-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 3356487
diethyl-[3-[(1R)-1-(4-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl]azanium
CID 2018019
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
3-[(1R)-7-fluoro-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 7196572
7-bromo-2-(3-hydroxypropyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3457590
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
7-bromo-1-(4-ethoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3767517

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The IUPAC name of 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium (CID 2242759) is 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium.
What is the SMILES notation for 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The canonical SMILES for 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium is CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1.
What is the InChIKey of 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The InChIKey is ODJWCHBRRCMKEH-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H25BrN2O3/c1-3-26(4-2)13-8-14-27-21(16-9-6-5-7-10-16)20-22(28)18-15-17(25)11-12-19(18)30-23(20)24(27)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/p+1/t21-/m1/s1.
What are the key properties of 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium has a molecular weight of 470.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium is sourced from PubChem (CID 2242759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).