3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium

C24H25Cl2N2O3+ — CID 2242497

IUPAC3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O3/c1-3-27(4-2)12-5-13-28-21(15-6-8-16(25)9-7-15)20-22(29)18-14-17(26)10-11-19(18)31-23(20)24(28)30/h6-11,14,21H,3-5,12-13H2,1-2H3/p+1/t21-/m1/s1
InChIKeyMLMPJGYIKGOYMP-OAQYLSRUSA-O
MW460.38 g/mol
LogP3.96
Rot. Bonds7

About 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium

3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium (PubChem CID 2242497) has the molecular formula C24H25Cl2N2O3+ and a molecular weight of 460.38 g/mol. Its IUPAC name is 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium.

Molecular Properties

Compound Name3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
PubChem CID2242497
Molecular FormulaC24H25Cl2N2O3+
Molecular Weight460.38 g/mol
Exact Mass459.12
IUPAC Name3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O3/c1-3-27(4-2)12-5-13-28-21(15-6-8-16(25)9-7-15)20-22(29)18-14-17(26)10-11-19(18)31-23(20)24(28)30/h6-11,14,21H,3-5,12-13H2,1-2H3/p+1/t21-/m1/s1
InChIKeyMLMPJGYIKGOYMP-OAQYLSRUSA-O
XLogP3.96
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[7-chloro-1-(4-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 5142035
3-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 2242759
1-(4-bromophenyl)-7-chloro-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706410
diethyl-[3-[(1R)-1-(4-fluorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl]azanium
CID 2018019
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242481
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
3-[7-chloro-3,9-dioxo-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 5142034
7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 44812180
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228
3-[(1R)-7-chloro-1-(3-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2242530
7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820222
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837565

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The IUPAC name of 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium (CID 2242497) is 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium.
What is the SMILES notation for 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The canonical SMILES for 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium is CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
The InChIKey is MLMPJGYIKGOYMP-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-3-27(4-2)12-5-13-28-21(15-6-8-16(25)9-7-15)20-22(29)18-14-17(26)10-11-19(18)31-23(20)24(28)30/h6-11,14,21H,3-5,12-13H2,1-2H3/p+1/t21-/m1/s1.
What are the key properties of 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium?
3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium has a molecular weight of 460.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-7-chloro-1-(4-chlorophenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium is sourced from PubChem (CID 2242497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).