1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23BrN2O3 — CID 664656

IUPAC1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C23H23BrN2O3/c1-3-25(4-2)12-13-26-20(15-8-7-9-16(24)14-15)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-11,14,20H,3-4,12-13H2,1-2H3
InChIKeyGKJJOADDFBPJLA-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.44
Rot. Bonds6

About 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664656) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664656
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C23H23BrN2O3/c1-3-25(4-2)12-13-26-20(15-8-7-9-16(24)14-15)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-11,14,20H,3-4,12-13H2,1-2H3
InChIKeyGKJJOADDFBPJLA-UHFFFAOYSA-N
XLogP4.44
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
2-[3-(Dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991372
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-(2-(Dimethylamino)ethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663476
2-(3-(Diethylamino)propyl)-1-(2,5-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663590
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663628
1-(3-Bromophenyl)-2-(2-(dimethylamino)ethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663694
2-[3-(Morpholin-4-yl)propyl]-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663700
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663702
2-(2-(Diethylamino)ethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663940
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
2-(2-(Diethylamino)ethyl)-1-(p-tolyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664441

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664656) is 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GKJJOADDFBPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c1-3-25(4-2)12-13-26-20(15-8-7-9-16(24)14-15)19-21(27)17-10-5-6-11-18(17)29-22(19)23(26)28/h5-11,14,20H,3-4,12-13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).