(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20ClNO4 — CID 2205544

IUPAC(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO4/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(23)7-5-14)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m0/s1
InChIKeyGERXMRRDTQWBSY-IBGZPJMESA-N
MW397.86 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2205544) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2205544
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO4/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(23)7-5-14)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m0/s1
InChIKeyGERXMRRDTQWBSY-IBGZPJMESA-N
XLogP4.25
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-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

2-(2-methoxyethyl)-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471704
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882178
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134602
2-(2-methoxyethyl)-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706227
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705931
(1R)-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212775
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691
1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471714
(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143695
(1S)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214700
7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706126

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2205544) is (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GERXMRRDTQWBSY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-12-10-16-17(11-13(12)2)28-21-18(20(16)25)19(14-4-6-15(23)7-5-14)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2205544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).