2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H26N2O3 — CID 664441

IUPAC2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3/c1-4-25(5-2)14-15-26-21(17-12-10-16(3)11-13-17)20-22(27)18-8-6-7-9-19(18)29-23(20)24(26)28/h6-13,21H,4-5,14-15H2,1-3H3
InChIKeyWCVNOKMUXBIBNH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.99
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664441) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664441
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3/c1-4-25(5-2)14-15-26-21(17-12-10-16(3)11-13-17)20-22(27)18-8-6-7-9-19(18)29-23(20)24(26)28/h6-13,21H,4-5,14-15H2,1-3H3
InChIKeyWCVNOKMUXBIBNH-UHFFFAOYSA-N
XLogP3.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.99
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-[(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
4-(1-Benzofuran-2-carbonyl)-6-benzyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 45268945
(6S)-4-(1-benzofuran-2-carbonyl)-6-benzyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 45271454
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-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664441) is 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WCVNOKMUXBIBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-25(5-2)14-15-26-21(17-12-10-16(3)11-13-17)20-22(27)18-8-6-7-9-19(18)29-23(20)24(26)28/h6-13,21H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 390.48 g/mol, XLogP of 3.99, 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-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).