1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H24N2O5 — CID 4709263

IUPAC1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C24H24N2O5/c1-15-5-6-19-18(13-15)22(28)20-21(16-3-2-4-17(27)14-16)26(24(29)23(20)31-19)8-7-25-9-11-30-12-10-25/h2-6,13-14,21,27H,7-12H2,1H3
InChIKeyXNVNSWDUNOIMFQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709263) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709263
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C24H24N2O5/c1-15-5-6-19-18(13-15)22(28)20-21(16-3-2-4-17(27)14-16)26(24(29)23(20)31-19)8-7-25-9-11-30-12-10-25/h2-6,13-14,21,27H,7-12H2,1H3
InChIKeyXNVNSWDUNOIMFQ-UHFFFAOYSA-N
XLogP2.68
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851037
1-(3-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705118
(1R)-1-(3-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143765
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 30469550
7-methyl-1-(4-methylsulfanylphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709283
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
(1S)-1-(4-ethoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836137
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196544
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837
(1R)-1-(4-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034349
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709263) is 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(CCN1CCOCC1)C3=O.
What is the InChIKey of 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XNVNSWDUNOIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-5-6-19-18(13-15)22(28)20-21(16-3-2-4-17(27)14-16)26(24(29)23(20)31-19)8-7-25-9-11-30-12-10-25/h2-6,13-14,21,27H,7-12H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).