2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide

C26H24N2O4S — CID 76587568

About 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide

2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide (PubChem CID 76587568) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide
• PubChem CID: 76587568
• Molecular Formula: C26H24N2O4S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.15
• IUPAC Name: 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(N)=O)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C26H24N2O4S/c1-13-12-26(2,3)28-16-6-5-15-22(21(13)16)19(11-20-14(25(27)30)9-10-33-20)32-18-8-7-17(29)24(31-4)23(15)18/h5-12,28-29H,1-4H3,(H2,27,30)
• InChIKey: JYDRDSHATTZJDO-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 93.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide?

The IUPAC name of 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide (CID 76587568) is 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide.

What is the SMILES notation for 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide?

The canonical SMILES for 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide is COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(N)=O)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide?

The InChIKey is JYDRDSHATTZJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-13-12-26(2,3)28-16-6-5-15-22(21(13)16)19(11-20-14(25(27)30)9-10-33-20)32-18-8-7-17(29)24(31-4)23(15)18/h5-12,28-29H,1-4H3,(H2,27,30).

What are the key properties of 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide?

2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 76587568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).