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

C22H21FN2O3 — CID 4273155

IUPAC2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1F
InChIInChI=1S/C22H21FN2O3/c1-24(2)12-7-13-25-19(14-8-3-5-10-16(14)23)18-20(26)15-9-4-6-11-17(15)28-21(18)22(25)27/h3-6,8-11,19H,7,12-13H2,1-2H3
InChIKeyDHCPFRUHUVHAOD-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.43
Rot. Bonds5

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

2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4273155) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4273155
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1F
InChIInChI=1S/C22H21FN2O3/c1-24(2)12-7-13-25-19(14-8-3-5-10-16(14)23)18-20(26)15-9-4-6-11-17(15)28-21(18)22(25)27/h3-6,8-11,19H,7,12-13H2,1-2H3
InChIKeyDHCPFRUHUVHAOD-UHFFFAOYSA-N
XLogP3.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026534
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985
(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7177341
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066355
1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809626
methyl 4-[(1R)-2-[3-(dimethylamino)propyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 7560102
(1S)-2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417811
(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2024420
2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4316394
(1S)-1-(2-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017995
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4273155) is 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1F.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DHCPFRUHUVHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-24(2)12-7-13-25-19(14-8-3-5-10-16(14)23)18-20(26)15-9-4-6-11-17(15)28-21(18)22(25)27/h3-6,8-11,19H,7,12-13H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 380.42 g/mol, XLogP of 3.43, 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)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4273155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).