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

C22H20FNO4 — CID 2143695

IUPAC(1S)-1-(2-fluorophenyl)-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]1c1ccccc1F
InChIInChI=1S/C22H20FNO4/c1-12-10-15-17(11-13(12)2)28-21-18(20(15)25)19(14-6-4-5-7-16(14)23)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m1/s1
InChIKeyBXTWSKSAHYCRAN-LJQANCHMSA-N
MW381.40 g/mol
LogP3.74
Rot. Bonds4

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

(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2143695) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2143695
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name(1S)-1-(2-fluorophenyl)-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]1c1ccccc1F
InChIInChI=1S/C22H20FNO4/c1-12-10-15-17(11-13(12)2)28-21-18(20(15)25)19(14-6-4-5-7-16(14)23)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m1/s1
InChIKeyBXTWSKSAHYCRAN-LJQANCHMSA-N
XLogP3.74
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2-fluorophenyl)-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

1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3652302
(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835945
1-(2-fluorophenyl)-2,6,7-trimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2985110
(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215692
(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2205544
2-(2-methoxyethyl)-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471704
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4860329
2-(2-methoxyethyl)-6,7-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706227
(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
7-chloro-1-(2-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882569
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848664
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134600

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2143695) is (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-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]1c1ccccc1F.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BXTWSKSAHYCRAN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20FNO4/c1-12-10-15-17(11-13(12)2)28-21-18(20(15)25)19(14-6-4-5-7-16(14)23)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3/t19-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 381.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2143695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).