(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25FN2O4 — CID 41417911

IUPAC(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O4/c1-4-26(5-2)12-13-27-21(15-6-8-16(25)9-7-15)20-22(28)18-11-10-17(30-3)14-19(18)31-23(20)24(27)29/h6-11,14,21H,4-5,12-13H2,1-3H3/t21-/m0/s1
InChIKeyQIAXQKFYBSWGRQ-NRFANRHFSA-N
MW424.47 g/mol
LogP3.83
Rot. Bonds7

About (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41417911) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41417911
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O4/c1-4-26(5-2)12-13-27-21(15-6-8-16(25)9-7-15)20-22(28)18-11-10-17(30-3)14-19(18)31-23(20)24(27)29/h6-11,14,21H,4-5,12-13H2,1-3H3/t21-/m0/s1
InChIKeyQIAXQKFYBSWGRQ-NRFANRHFSA-N
XLogP3.83
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-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

(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
methyl 4-[2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 23472257
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913
1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472273
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472250
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472846
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472501
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41417911) is (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QIAXQKFYBSWGRQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-4-26(5-2)12-13-27-21(15-6-8-16(25)9-7-15)20-22(28)18-11-10-17(30-3)14-19(18)31-23(20)24(27)29/h6-11,14,21H,4-5,12-13H2,1-3H3/t21-/m0/s1.
What are the key properties of (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41417911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).