1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20Cl2N2O3 — CID 4705585

IUPAC1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(Cl)c(Cl)c1)N(CCN(C)C)C3=O
InChIInChI=1S/C22H20Cl2N2O3/c1-12-4-7-17-14(10-12)20(27)18-19(13-5-6-15(23)16(24)11-13)26(9-8-25(2)3)22(28)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyACVMRHASUIQSFU-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.52
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705585) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705585
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(Cl)c(Cl)c1)N(CCN(C)C)C3=O
InChIInChI=1S/C22H20Cl2N2O3/c1-12-4-7-17-14(10-12)20(27)18-19(13-5-6-15(23)16(24)11-13)26(9-8-25(2)3)22(28)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyACVMRHASUIQSFU-UHFFFAOYSA-N
XLogP4.52
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705856
(1S)-1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066659
2-[2-(dimethylamino)ethyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705578
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564
(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066631
1-(3-bromophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705582
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837
methyl 4-[(1S)-2-[2-(dimethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 27315265
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4551176
(1S)-7-chloro-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066329
(1S)-2-[3-(dimethylamino)propyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196530
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705585) is 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(Cl)c(Cl)c1)N(CCN(C)C)C3=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ACVMRHASUIQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-12-4-7-17-14(10-12)20(27)18-19(13-5-6-15(23)16(24)11-13)26(9-8-25(2)3)22(28)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).