6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H27N3O7 — CID 23472621

IUPAC6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)C3c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H27N3O7/c1-2-35-19-8-9-20-21(16-19)36-25-22(24(20)30)23(17-4-6-18(7-5-17)29(32)33)28(26(25)31)11-3-10-27-12-14-34-15-13-27/h4-9,16,23H,2-3,10-15H2,1H3
InChIKeyAPSUFZVCMQVRDD-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.37
Rot. Bonds8

About 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472621) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472621
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)C3c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H27N3O7/c1-2-35-19-8-9-20-21(16-19)36-25-22(24(20)30)23(17-4-6-18(7-5-17)29(32)33)28(26(25)31)11-3-10-27-12-14-34-15-13-27/h4-9,16,23H,2-3,10-15H2,1H3
InChIKeyAPSUFZVCMQVRDD-UHFFFAOYSA-N
XLogP3.37
TPSA115.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-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

2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472555
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
7-bromo-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705192
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472523
(1S)-1-(4-butoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865713
13-(4-ethoxyphenyl)-14-(3-morpholin-4-ylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134194
(1S)-1-(4-ethoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836137
(1R)-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008057
(1R)-1-(3,4-diethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 31615002
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705262
(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144539

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472621) is 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)C3c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is APSUFZVCMQVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-2-35-19-8-9-20-21(16-19)36-25-22(24(20)30)23(17-4-6-18(7-5-17)29(32)33)28(26(25)31)11-3-10-27-12-14-34-15-13-27/h4-9,16,23H,2-3,10-15H2,1H3.
What are the key properties of 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 493.52 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).