(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H28N2O6 — CID 28835595

IUPAC(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C26H28N2O6/c1-31-18-6-4-17(5-7-18)23-22-24(29)20-9-8-19(32-2)16-21(20)34-25(22)26(30)28(23)11-3-10-27-12-14-33-15-13-27/h4-9,16,23H,3,10-15H2,1-2H3/t23-/m0/s1
InChIKeyQVYJJELVQPQBTB-QHCPKHFHSA-N
MW464.52 g/mol
LogP3.08
Rot. Bonds7

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

(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28835595) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28835595
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C26H28N2O6/c1-31-18-6-4-17(5-7-18)23-22-24(29)20-9-8-19(32-2)16-21(20)34-25(22)26(30)28(23)11-3-10-27-12-14-33-15-13-27/h4-9,16,23H,3,10-15H2,1-2H3/t23-/m0/s1
InChIKeyQVYJJELVQPQBTB-QHCPKHFHSA-N
XLogP3.08
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008057
(1R)-1-(4-bromophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835689
1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4972805
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835601
(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835626
(1S)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835552
methyl 4-[6-methoxy-2-(2-morpholin-4-ylethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 4972332
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472621
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835761
(1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2002133
(1S)-1-(4-butoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865713

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28835595) is (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QVYJJELVQPQBTB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-18-6-4-17(5-7-18)23-22-24(29)20-9-8-19(32-2)16-21(20)34-25(22)26(30)28(23)11-3-10-27-12-14-33-15-13-27/h4-9,16,23H,3,10-15H2,1-2H3/t23-/m0/s1.
What are the key properties of (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28835595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).