2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H22N2O4S — CID 664604

IUPAC2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1CCCN1CCOCC1
InChIInChI=1S/C22H22N2O4S/c25-20-15-5-1-2-6-16(15)28-21-18(20)19(17-7-3-14-29-17)24(22(21)26)9-4-8-23-10-12-27-13-11-23/h1-3,5-7,14,19H,4,8-13H2
InChIKeyZLOYSAQLVOZAJG-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664604) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664604
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1CCCN1CCOCC1
InChIInChI=1S/C22H22N2O4S/c25-20-15-5-1-2-6-16(15)28-21-18(20)19(17-7-3-14-29-17)24(22(21)26)9-4-8-23-10-12-27-13-11-23/h1-3,5-7,14,19H,4,8-13H2
InChIKeyZLOYSAQLVOZAJG-UHFFFAOYSA-N
XLogP3.12
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(1-(benzo[b]thiophen-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11510399
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-[3-(Morpholin-4-yl)propyl]-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663700
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
1-(3-Methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4029817
pyrrolidin-1-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 5309238
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877970
N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 71449627
1-[3-(Dimethylamino)propyl]-3-hydroxy-5-(4-methoxyphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2910268
1-(5-{[3-(2-Methoxybenzoyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 24816738
2-[3-(Morpholin-4-yl)propyl]-1-[4-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663632
1-(4-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
CID 663761

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664604) is 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1CCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZLOYSAQLVOZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-20-15-5-1-2-6-16(15)28-21-18(20)19(17-7-3-14-29-17)24(22(21)26)9-4-8-23-10-12-27-13-11-23/h1-3,5-7,14,19H,4,8-13H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).