2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H24N2O3 — CID 663940

IUPAC2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)19-21(26)17-12-8-9-13-18(17)28-22(19)23(25)27/h5-13,20H,3-4,14-15H2,1-2H3
InChIKeyLZIGMMFJFOMEJF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.68
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663940) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663940
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)19-21(26)17-12-8-9-13-18(17)28-22(19)23(25)27/h5-13,20H,3-4,14-15H2,1-2H3
InChIKeyLZIGMMFJFOMEJF-UHFFFAOYSA-N
XLogP3.68
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
2-[3-(Dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991372
N-[(2-methoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 4882049
N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 9508162
N-(4-methylbenzyl)-4-oxo-4H-chromene-2-carboxamide
CID 9535523
6-methyl-N-(4-methylbenzyl)-4-oxo-4H-chromene-2-carboxamide
CID 16013334
N-benzyl-4-oxo-4H-chromene-2-carboxamide
CID 805307
2-(4-Benzyl-piperazin-1-ylmethyl)-chromen-4-one
CID 10449555
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-(2-(Dimethylamino)ethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663476
2-(3-(Diethylamino)propyl)-1-(2,5-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663940) is 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LZIGMMFJFOMEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-24(4-2)14-15-25-20(16-10-6-5-7-11-16)19-21(26)17-12-8-9-13-18(17)28-22(19)23(25)27/h5-13,20H,3-4,14-15H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 376.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).