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

C22H22N2O4S — CID 7196544

IUPAC(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C22H22N2O4S/c1-14-4-5-16-15(13-14)20(25)18-19(17-3-2-12-29-17)24(22(26)21(18)28-16)7-6-23-8-10-27-11-9-23/h2-5,12-13,19H,6-11H2,1H3/t19-/m0/s1
InChIKeyNQIKBEFWWJTRFR-IBGZPJMESA-N
MW410.50 g/mol
LogP3.04
Rot. Bonds4

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

(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7196544) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7196544
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C22H22N2O4S/c1-14-4-5-16-15(13-14)20(25)18-19(17-3-2-12-29-17)24(22(26)21(18)28-16)7-6-23-8-10-27-11-9-23/h2-5,12-13,19H,6-11H2,1H3/t19-/m0/s1
InChIKeyNQIKBEFWWJTRFR-IBGZPJMESA-N
XLogP3.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl-[2-[(1R)-7-methyl-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl]azanium
CID 7196553
1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709263
7-methyl-1-(4-methylsulfanylphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709283
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 30469550
(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-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7161917
(1R)-1-(4-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034349
1-(3-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705118
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837
7-bromo-2-ethyl-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3719320
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272
7-bromo-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4292395

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7196544) is (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccs1)N(CCN1CCOCC1)C3=O.
What is the InChIKey of (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NQIKBEFWWJTRFR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-14-4-5-16-15(13-14)20(25)18-19(17-3-2-12-29-17)24(22(26)21(18)28-16)7-6-23-8-10-27-11-9-23/h2-5,12-13,19H,6-11H2,1H3/t19-/m0/s1.
What are the key properties of (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7196544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).