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

C30H29BrN2O4 — CID 4705386

IUPAC7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H29BrN2O4/c1-3-32(4-2)16-17-33-27(21-10-13-23(14-11-21)36-19-20-8-6-5-7-9-20)26-28(34)24-18-22(31)12-15-25(24)37-29(26)30(33)35/h5-15,18,27H,3-4,16-17,19H2,1-2H3
InChIKeyIWAJIBMFJHLKGV-UHFFFAOYSA-N
MW561.48 g/mol
LogP6.02
Rot. Bonds9

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

7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705386) has the molecular formula C30H29BrN2O4 and a molecular weight of 561.48 g/mol. Its IUPAC name is 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705386
Molecular FormulaC30H29BrN2O4
Molecular Weight561.48 g/mol
Exact Mass560.13
IUPAC Name7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H29BrN2O4/c1-3-32(4-2)16-17-33-27(21-10-13-23(14-11-21)36-19-20-8-6-5-7-9-20)26-28(34)24-18-22(31)12-15-25(24)37-29(26)30(33)35/h5-15,18,27H,3-4,16-17,19H2,1-2H3
InChIKeyIWAJIBMFJHLKGV-UHFFFAOYSA-N
XLogP6.02
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-[3-(dimethylamino)propyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705898
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705410
7-bromo-1-(4-ethoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3767517
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705415
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
(1R)-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008929
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
7-bromo-2-(4-bromophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854734
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
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472848

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705386) is 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IWAJIBMFJHLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29BrN2O4/c1-3-32(4-2)16-17-33-27(21-10-13-23(14-11-21)36-19-20-8-6-5-7-9-20)26-28(34)24-18-22(31)12-15-25(24)37-29(26)30(33)35/h5-15,18,27H,3-4,16-17,19H2,1-2H3.
What are the key properties of 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 561.48 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[2-(diethylamino)ethyl]-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).