7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H18ClNO4S — CID 18882112

IUPAC7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)cc1
InChIInChI=1S/C21H18ClNO4S/c1-11-9-16-14(10-15(11)22)19(25)17-18(12-3-5-13(28-2)6-4-12)23(7-8-24)21(26)20(17)27-16/h3-6,9-10,18,24H,7-8H2,1-2H3
InChIKeyGZVKJEQFOVMOOY-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.01
Rot. Bonds4

About 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882112) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882112
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC Name7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)cc1
InChIInChI=1S/C21H18ClNO4S/c1-11-9-16-14(10-15(11)22)19(25)17-18(12-3-5-13(28-2)6-4-12)23(7-8-24)21(26)20(17)27-16/h3-6,9-10,18,24H,7-8H2,1-2H3
InChIKeyGZVKJEQFOVMOOY-UHFFFAOYSA-N
XLogP4.01
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(1S)-2-(2-hydroxyethyl)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638926
1-(4-butoxyphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882126
(1S)-7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316859
6,7-dimethyl-1-(4-methylsulfanylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706814
7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-(2-hydroxyethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882102
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882178
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417683
methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19134584
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882098
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882112) is 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CSc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)cc1.
What is the InChIKey of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GZVKJEQFOVMOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c1-11-9-16-14(10-15(11)22)19(25)17-18(12-3-5-13(28-2)6-4-12)23(7-8-24)21(26)20(17)27-16/h3-6,9-10,18,24H,7-8H2,1-2H3.
What are the key properties of 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 415.90 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).