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

C24H25N3O6 — CID 23472555

IUPAC2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N3O6/c1-4-32-17-10-11-18-19(14-17)33-23-20(22(18)28)21(15-6-8-16(9-7-15)27(30)31)26(24(23)29)13-5-12-25(2)3/h6-11,14,21H,4-5,12-13H2,1-3H3
InChIKeyOSMCJALVDWJJOP-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.60
Rot. Bonds8

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

2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472555) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472555
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N3O6/c1-4-32-17-10-11-18-19(14-17)33-23-20(22(18)28)21(15-6-8-16(9-7-15)27(30)31)26(24(23)29)13-5-12-25(2)3/h6-11,14,21H,4-5,12-13H2,1-3H3
InChIKeyOSMCJALVDWJJOP-UHFFFAOYSA-N
XLogP3.60
TPSA106.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472621
2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472568
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472429
2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472606
(1R)-1-(3,4-diethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 34116886
7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134388
2-(3-ethoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113989
7-bromo-2-[2-(dimethylamino)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705639
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472501
2-[3-(dimethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5082658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472555) is 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OSMCJALVDWJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-4-32-17-10-11-18-19(14-17)33-23-20(22(18)28)21(15-6-8-16(9-7-15)27(30)31)26(24(23)29)13-5-12-25(2)3/h6-11,14,21H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 451.48 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).