(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H29N2O5+ — CID 2009678

IUPAC(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C26H28N2O5/c1-2-32-19-10-8-18(9-11-19)23-22-24(29)20-6-3-4-7-21(20)33-25(22)26(30)28(23)13-5-12-27-14-16-31-17-15-27/h3-4,6-11,23H,2,5,12-17H2,1H3/p+1/t23-/m1/s1
InChIKeyPQHSANRDKWXWOA-HSZRJFAPSA-O
MW449.53 g/mol
LogP2.04
Rot. Bonds7

About (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2009678) has the molecular formula C26H29N2O5+ and a molecular weight of 449.53 g/mol. Its IUPAC name is (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2009678
Molecular FormulaC26H29N2O5+
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C26H28N2O5/c1-2-32-19-10-8-18(9-11-19)23-22-24(29)20-6-3-4-7-21(20)33-25(22)26(30)28(23)13-5-12-27-14-16-31-17-15-27/h3-4,6-11,23H,2,5,12-17H2,1H3/p+1/t23-/m1/s1
InChIKeyPQHSANRDKWXWOA-HSZRJFAPSA-O
XLogP2.04
TPSA73.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(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
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164
(1S)-1-(4-butoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865713
1-(4-butoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709206
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013531
(1R)-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008057
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
(1R)-1-(3,4-diethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 31615002
1-(4-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19114001
(1R)-2-(3-ethoxypropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849886

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2009678) is (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1.
What is the InChIKey of (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PQHSANRDKWXWOA-HSZRJFAPSA-O. The full InChI is InChI=1S/C26H28N2O5/c1-2-32-19-10-8-18(9-11-19)23-22-24(29)20-6-3-4-7-21(20)33-25(22)26(30)28(23)13-5-12-27-14-16-31-17-15-27/h3-4,6-11,23H,2,5,12-17H2,1H3/p+1/t23-/m1/s1.
What are the key properties of (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.53 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2009678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).