2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline

C28H27FN2O — CID 10906044

About 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline

2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline (PubChem CID 10906044) has the molecular formula C28H27FN2O and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline
• PubChem CID: 10906044
• Molecular Formula: C28H27FN2O
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.21
• IUPAC Name: 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline
• SMILES: CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3
• InChI: InChI=1S/C28H27FN2O/c1-17-16-28(2,3)30-22-12-11-20-21-15-19(29)10-13-24(21)32-25(27(20)26(17)22)14-18-8-6-7-9-23(18)31(4)5/h6-16,30H,1-5H3/b25-14-
• InChIKey: CWXNSHLNBNLSSS-QFEZKATASA-N
• XLogP: 7.06
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline (CID 10906044) is 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline.

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

The canonical SMILES for 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3.

What is the InChIKey of 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline?

The InChIKey is CWXNSHLNBNLSSS-QFEZKATASA-N. The full InChI is InChI=1S/C28H27FN2O/c1-17-16-28(2,3)30-22-12-11-20-21-15-19(29)10-13-24(21)32-25(27(20)26(17)22)14-18-8-6-7-9-23(18)31(4)5/h6-16,30H,1-5H3/b25-14-.

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

2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline has a molecular weight of 426.54 g/mol, XLogP of 7.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-(9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 10906044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).