7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H23ClN2O4S — CID 19134287

About 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134287) has the molecular formula C30H23ClN2O4S and a molecular weight of 543.04 g/mol. Its IUPAC name is 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19134287
• Molecular Formula: C30H23ClN2O4S
• Molecular Weight: 543.04 g/mol
• Exact Mass: 542.11
• IUPAC Name: 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(c1nc(C)c(C)s1)C3=O
• InChI: InChI=1S/C30H23ClN2O4S/c1-16-12-24-22(14-23(16)31)27(34)25-26(33(29(35)28(25)37-24)30-32-17(2)18(3)38-30)20-10-7-11-21(13-20)36-15-19-8-5-4-6-9-19/h4-14,26H,15H2,1-3H3
• InChIKey: DHXRXYBLJUTDRV-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 72.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.04
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134287) is 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(c1nc(C)c(C)s1)C3=O.

What is the InChIKey of 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is DHXRXYBLJUTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O4S/c1-16-12-24-22(14-23(16)31)27(34)25-26(33(29(35)28(25)37-24)30-32-17(2)18(3)38-30)20-10-7-11-21(13-20)36-15-19-8-5-4-6-9-19/h4-14,26H,15H2,1-3H3.

What are the key properties of 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 543.04 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).