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

C29H30N2O5 — CID 11375176

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

2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide (PubChem CID 11375176) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide
• PubChem CID: 11375176
• Molecular Formula: C29H30N2O5
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.22
• IUPAC Name: 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1C(=O)N(C)C)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C29H30N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,30,32H,1-7H3/b23-13-
• InChIKey: IXYSZBKYKAOXFJ-QRVIBDJDSA-N
• XLogP: 6.17
• TPSA: 84.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide (CID 11375176) is 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide.

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

The canonical SMILES for 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1oc(C)cc1C(=O)N(C)C)O2)C(C)=CC(C)(C)N3.

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

The InChIKey is IXYSZBKYKAOXFJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,30,32H,1-7H3/b23-13-.

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

2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 6.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 11375176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).