1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21BrN2O3 — CID 4705582

IUPAC1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(CCN(C)C)C3=O
InChIInChI=1S/C22H21BrN2O3/c1-13-7-8-17-16(11-13)20(26)18-19(14-5-4-6-15(23)12-14)25(10-9-24(2)3)22(27)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyYCOFHQBLSJZOPK-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705582) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705582
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(CCN(C)C)C3=O
InChIInChI=1S/C22H21BrN2O3/c1-13-7-8-17-16(11-13)20(26)18-19(14-5-4-6-15(23)12-14)25(10-9-24(2)3)22(27)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyYCOFHQBLSJZOPK-UHFFFAOYSA-N
XLogP3.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705578
7-bromo-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705667
(1S)-1-(3-bromophenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242514
2-benzyl-1-(3-bromophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3666502
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705585
(1S)-2-[3-(dimethylamino)propyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196530
1-(3-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705118
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564
(1S)-7-chloro-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066329
methyl 4-[(1S)-2-[2-(dimethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 27315265
(1R)-1-(4-bromophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212038
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705582) is 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(CCN(C)C)C3=O.
What is the InChIKey of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YCOFHQBLSJZOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-13-7-8-17-16(11-13)20(26)18-19(14-5-4-6-15(23)12-14)25(10-9-24(2)3)22(27)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 441.33 g/mol, XLogP of 3.97, 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]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).