7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22Br2N2O3 — CID 4705371

IUPAC7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(Br)cc1
InChIInChI=1S/C23H22Br2N2O3/c1-3-26(4-2)11-12-27-20(14-5-7-15(24)8-6-14)19-21(28)17-13-16(25)9-10-18(17)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyVQSBXOIZDYLUFA-UHFFFAOYSA-N
MW534.25 g/mol
LogP5.20
Rot. Bonds6

About 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705371) has the molecular formula C23H22Br2N2O3 and a molecular weight of 534.25 g/mol. Its IUPAC name is 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705371
Molecular FormulaC23H22Br2N2O3
Molecular Weight534.25 g/mol
Exact Mass532.00
IUPAC Name7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(Br)cc1
InChIInChI=1S/C23H22Br2N2O3/c1-3-26(4-2)11-12-27-20(14-5-7-15(24)8-6-14)19-21(28)17-13-16(25)9-10-18(17)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3
InChIKeyVQSBXOIZDYLUFA-UHFFFAOYSA-N
XLogP5.20
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-[2-(diethylamino)ethyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705415
(1R)-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008929
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705410
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705386
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705380
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705375
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705388
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705405
7-bromo-2-[2-(diethylamino)ethyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705387

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705371) is 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(Br)cc1.
What is the InChIKey of 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VQSBXOIZDYLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O3/c1-3-26(4-2)11-12-27-20(14-5-7-15(24)8-6-14)19-21(28)17-13-16(25)9-10-18(17)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3.
What are the key properties of 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 534.25 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).