2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23FN2O3 — CID 15991373

IUPAC2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN(C)C)C3=O
InChIInChI=1S/C23H23FN2O3/c1-14-9-10-18-16(13-14)21(27)19-20(15-7-4-5-8-17(15)24)26(12-6-11-25(2)3)23(28)22(19)29-18/h4-5,7-10,13,20H,6,11-12H2,1-3H3
InChIKeyRLEGBVSFNLTTCM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.74
Rot. Bonds5

About 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 15991373) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID15991373
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN(C)C)C3=O
InChIInChI=1S/C23H23FN2O3/c1-14-9-10-18-16(13-14)21(27)19-20(15-7-4-5-8-17(15)24)26(12-6-11-25(2)3)23(28)22(19)29-18/h4-5,7-10,13,20H,6,11-12H2,1-3H3
InChIKeyRLEGBVSFNLTTCM-UHFFFAOYSA-N
XLogP3.74
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 15991373) is 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN(C)C)C3=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RLEGBVSFNLTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14-9-10-18-16(13-14)21(27)19-20(15-7-4-5-8-17(15)24)26(12-6-11-25(2)3)23(28)22(19)29-18/h4-5,7-10,13,20H,6,11-12H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 394.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 15991373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).