7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C24H17ClN4O4S — CID 18867786

IUPAC7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2c1nnc(C)s1
InChIInChI=1S/C24H17ClN4O4S/c1-3-10-28-16-7-5-4-6-15(16)24(22(28)32)18-19(30)14-11-13(25)8-9-17(14)33-20(18)21(31)29(24)23-27-26-12(2)34-23/h4-9,11H,3,10H2,1-2H3
InChIKeyWUDKZZROGZHERZ-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.27
Rot. Bonds3

About 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867786) has the molecular formula C24H17ClN4O4S and a molecular weight of 492.94 g/mol. Its IUPAC name is 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867786
Molecular FormulaC24H17ClN4O4S
Molecular Weight492.94 g/mol
Exact Mass492.07
IUPAC Name7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2c1nnc(C)s1
InChIInChI=1S/C24H17ClN4O4S/c1-3-10-28-16-7-5-4-6-15(16)24(22(28)32)18-19(30)14-11-13(25)8-9-17(14)33-20(18)21(31)29(24)23-27-26-12(2)34-23/h4-9,11H,3,10H2,1-2H3
InChIKeyWUDKZZROGZHERZ-UHFFFAOYSA-N
XLogP4.27
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867794
7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868771
7-chloro-1'-[(4-methylphenyl)methyl]-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867910
7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867738
7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867762
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
7-chloro-1'-ethyl-2-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867729
7-chloro-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867912
7-chloro-1'-ethyl-2-(6-methoxy-1,3-benzothiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867715
ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 18867991
7-chloro-1'-ethyl-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3316444
7-chloro-1'-[(4-chlorophenyl)methyl]-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868001

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867786) is 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2c1nnc(C)s1.
What is the InChIKey of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is WUDKZZROGZHERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O4S/c1-3-10-28-16-7-5-4-6-15(16)24(22(28)32)18-19(30)14-11-13(25)8-9-17(14)33-20(18)21(31)29(24)23-27-26-12(2)34-23/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 492.94 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).