(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22Cl2N2O3 — CID 2008426

IUPAC(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2O3/c1-3-26(4-2)11-12-27-20(14-9-10-16(24)17(25)13-14)19-21(28)15-7-5-6-8-18(15)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3/t20-/m1/s1
InChIKeyQLRWOYGPDXQTQX-HXUWFJFHSA-N
MW445.35 g/mol
LogP4.99
Rot. Bonds6

About (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2008426) has the molecular formula C23H22Cl2N2O3 and a molecular weight of 445.35 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2008426
Molecular FormulaC23H22Cl2N2O3
Molecular Weight445.35 g/mol
Exact Mass444.10
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N2O3/c1-3-26(4-2)11-12-27-20(14-9-10-16(24)17(25)13-14)19-21(28)15-7-5-6-8-18(15)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3/t20-/m1/s1
InChIKeyQLRWOYGPDXQTQX-HXUWFJFHSA-N
XLogP4.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-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

(1R)-1-(3,4-dichlorophenyl)-2-[3-(diethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014324
2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702802
(1R)-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008929
(1S)-1-(4-tert-butylphenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023721
1-(4-chlorophenyl)-2-[3-(diethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3992814
(1S)-2-[2-(diethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2022424
2-[2-(diethylamino)ethyl]-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702713
(1S)-2-[2-(diethylamino)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011447
(1S)-2-[2-(diethylamino)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2030176
1-(3,4-dichlorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4539533
2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702720
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2008426) is (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QLRWOYGPDXQTQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3/c1-3-26(4-2)11-12-27-20(14-9-10-16(24)17(25)13-14)19-21(28)15-7-5-6-8-18(15)30-22(19)23(27)29/h5-10,13,20H,3-4,11-12H2,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 445.35 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2008426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).