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

C21H19BrN2O3 — CID 663694

IUPAC1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C21H19BrN2O3/c1-23(2)10-11-24-18(13-6-5-7-14(22)12-13)17-19(25)15-8-3-4-9-16(15)27-20(17)21(24)26/h3-9,12,18H,10-11H2,1-2H3
InChIKeyFTNXQDJBKPYHEB-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.66
Rot. Bonds4

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

1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663694) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663694
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1
InChIInChI=1S/C21H19BrN2O3/c1-23(2)10-11-24-18(13-6-5-7-14(22)12-13)17-19(25)15-8-3-4-9-16(15)27-20(17)21(24)26/h3-9,12,18H,10-11H2,1-2H3
InChIKeyFTNXQDJBKPYHEB-UHFFFAOYSA-N
XLogP3.66
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.66
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
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
1-(3-Bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664487

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663694) is 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FTNXQDJBKPYHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-23(2)10-11-24-18(13-6-5-7-14(22)12-13)17-19(25)15-8-3-4-9-16(15)27-20(17)21(24)26/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 427.30 g/mol, XLogP of 3.66, 4 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-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).