3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium

C23H25N2O4+ — CID 2004249

IUPAC3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[NH+](C)C
InChIInChI=1S/C23H24N2O4/c1-24(2)13-8-14-25-20(15-9-4-6-11-17(15)28-3)19-21(26)16-10-5-7-12-18(16)29-22(19)23(25)27/h4-7,9-12,20H,8,13-14H2,1-3H3/p+1/t20-/m1/s1
InChIKeyLUJDKJRXGDUVRT-HXUWFJFHSA-O
MW393.46 g/mol
LogP1.88
Rot. Bonds6

About 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium

3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium (PubChem CID 2004249) has the molecular formula C23H25N2O4+ and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
PubChem CID2004249
Molecular FormulaC23H25N2O4+
Molecular Weight393.46 g/mol
Exact Mass393.18
IUPAC Name3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
SMILESCOc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[NH+](C)C
InChIInChI=1S/C23H24N2O4/c1-24(2)13-8-14-25-20(15-9-4-6-11-17(15)28-3)19-21(26)16-10-5-7-12-18(16)29-22(19)23(25)27/h4-7,9-12,20H,8,13-14H2,1-3H3/p+1/t20-/m1/s1
InChIKeyLUJDKJRXGDUVRT-HXUWFJFHSA-O
XLogP1.88
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium 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

3-[(1S)-3,9-dioxo-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2059442
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
3-[(1R)-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2005998
(1R)-1-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002180
(1R)-2-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2045156
(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7177341
3-[(1R)-3,9-dioxo-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2003313
(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
(1S)-2-[3-(diethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417853
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835601

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium (CID 2004249) is 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium is COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[NH+](C)C.
What is the InChIKey of 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?
The InChIKey is LUJDKJRXGDUVRT-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H24N2O4/c1-24(2)13-8-14-25-20(15-9-4-6-11-17(15)28-3)19-21(26)16-10-5-7-12-18(16)29-22(19)23(25)27/h4-7,9-12,20H,8,13-14H2,1-3H3/p+1/t20-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?
3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium has a molecular weight of 393.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium is sourced from PubChem (CID 2004249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).