7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H22N2O4 — CID 23473063

IUPAC7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccccn1)N(CCCOC)C3=O
InChIInChI=1S/C22H22N2O4/c1-3-14-8-9-17-15(13-14)20(25)18-19(16-7-4-5-10-23-16)24(11-6-12-27-2)22(26)21(18)28-17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3
InChIKeyXELGLEXHNMGIJA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.33
Rot. Bonds6

About 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23473063) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23473063
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccccn1)N(CCCOC)C3=O
InChIInChI=1S/C22H22N2O4/c1-3-14-8-9-17-15(13-14)20(25)18-19(16-7-4-5-10-23-16)24(11-6-12-27-2)22(26)21(18)28-17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3
InChIKeyXELGLEXHNMGIJA-UHFFFAOYSA-N
XLogP3.33
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-2-(2-methylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473057
7-chloro-2-(3-methoxypropyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134606
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134600
7-ethyl-2-propyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473053
(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598415
(1R)-7-methyl-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7161917
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4895862
1-(4-ethylphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706071
7-chloro-6-methyl-2-propyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134579
7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706409
2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 27308937
2-[3-(diethylamino)propyl]-7-ethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472946

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23473063) is 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1ccccn1)N(CCCOC)C3=O.
What is the InChIKey of 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XELGLEXHNMGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-14-8-9-17-15(13-14)20(25)18-19(16-7-4-5-10-23-16)24(11-6-12-27-2)22(26)21(18)28-17/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3.
What are the key properties of 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 378.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(3-methoxypropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23473063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).